(3-Cyanophenyl) methanesulfonamide

CAT: 0926-ZTB12239-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZTB12239-01Size:0.5 g

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CAS Number

1099122-39-0

MDL Number

MFCD11647643

Smiles

C1=CC (=CC (=C1) C#N) CS (=O) (=O) N

Molecular Formula

C8H8N2O2S

Molecular Weight

196.22 g/mol

Controlled

Chemical Information

(3-Cyanophenyl)methanesulfonamide

CAS Number	1099122-39-0
PubChem CID	43351388
IUPAC Name	(3-cyanophenyl)methanesulfonamide
Molecular Formula	C8H8N2O2S
Molecular Weight	196.23
XLogP	0.2
Topological Polar Surface Area	92.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	309

SMILES

C1=CC(=CC(=C1)C#N)CS(=O)(=O)N

InChI

InChI=1S/C8H8N2O2S/c9-5-7-2-1-3-8(4-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12)

InChIKey

VPFZVOLCQFOMLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1099122-39-0

CID: 43351388

Formula: C8H8N2O2S

MW: 196.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.23
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	196.03064868
Monoisotopic Mass	196.03064868
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RHA86854-01	(4-Cyanophenyl) methanesulfonamide
CBA35013-01	(2-Cyanophenyl) methanesulfonamide
DAD32703-01	(4-Bromo-2-cyanophenyl) methanesulfonamide
ZTB11352-01	2-[ (3-Cyanophenyl) methanesulfonamido]acetic acid
ULB35399-01	(3-Fluorophenyl) methanesulfonamide
PDA78290	(3-Methoxyphenyl) methanesulfonamide
PDA78288-01	(3-Chlorophenyl) methanesulfonamide
CVD03506-01	(3-Oxocyclobutyl) methanesulfonamide
KEA65438-01	(3-Methylphenyl) methanesulfonamide
ULB35404-01	(3-Bromophenyl) methanesulfonamide

Catalog	Name
sc-279534	N- (3-cyanophenyl) methanesulfonamide
sc-332839A	1- (4-cyanophenyl) methanesulfonamide
sc-272860	1- (2-cyanophenyl) methanesulfonamide
OR310907	N- (4-Bromo-3-cyanophenyl) methanesulfonamide
sc-349378	(4-cyanophenyl) -N- (propan-2-yl) methanesulfonamide
OR1001174-01	(3-Bromophenyl) methanesulfonamide
457046-01	N- (3-Bromophenyl) methanesulfonamide
sc-312474	(3-Amino-phenyl) -methanesulfonamide
sc-354510A	N- (3-aminopropyl) methanesulfonamide
sc-235922	N- (3-Aminophenyl) methanesulfonamide