N-Methyl-1-phenylethane-1-sulfonamide

CAT: 0926-DXC60821-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DXC60821-01Size:50 mg

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CAS Number

1803608-21-0

MDL Number

MFCD28714601

Smiles

CC (C1=CC=CC=C1) S (=O) (=O) NC

Molecular Formula

C9H13NO2S

Molecular Weight

199.27 g/mol

Controlled

Chemical Information

N-methyl-1-phenylethane-1-sulfonamide

CAS Number	1803608-21-0
PubChem CID	70504219
IUPAC Name	N-methyl-1-phenylethanesulfonamide
Molecular Formula	C9H13NO2S
Molecular Weight	199.27
XLogP	1.2
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	237

SMILES

CC(C1=CC=CC=C1)S(=O)(=O)NC

InChI

InChI=1S/C9H13NO2S/c1-8(13(11,12)10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3

InChIKey

YTDGYEVCKSVELT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803608-21-0

CID: 70504219

Formula: C9H13NO2S

MW: 199.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.27
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	199.06669983
Monoisotopic Mass	199.06669983
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CVA63504-01	1-Phenylethane-1-sulfonamide
ABA84061-01	2-Amino-N-phenylethane-1-sulfonamide
RAA99347-01	2-Phenylethane-1-sulfonamide
TIC70866-01	2-Methyl-N, N-dipropylbenzene-1-sulfonamide
BAA13312-01	4-Methyl-N-propylbenzene-1-sulfonamide
QBA18207-01	N-Methyl-2-phenylbenzene-1-sulfonamide
NKD27641-01	N-Methyl-1-phenylbutane-2-sulfonamide
REA43608-01	3-Methyl-N-phenylbenzene-1-sulfonamide
XDA28961-01	N-Methyl-2-oxopropane-1-sulfonamide
NAC27781-01	N-Methyl-1-benzothiophene-2-sulfonamide

Catalog	Name
459463-01	N-Methyl-perfluorohexane-1-sulfonamide
TRC-M327348-250MG	N-Methyl-perfluorohexane-1-sulfonamide (>90%)
TRC-H950265-25MG	1-Hydroperoxy-1-phenylethane
409825-01	1-Hydroperoxy-1-phenylethane
OR1049405-01	N1-Methyl-N2-phenylethane-1,2-diamine
sc-328939	N- (1,1,2,2-Tetrafluoroethyl-N-methyl) benzene-sulfonamide
RG-E141397-01	1,2-Dichloro-1-phenylethane
HY-W015788-01	1-Phenylethane-1,2-diol
RG-E140269-01	Ethyl 1-phenylethane-1-sulfonate
OR1071775-01	(S) -1-Phenylethane-1-thiol