3-Nitrobenzenesulfonamide

CAT: 0127-OR80136-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR80136-01Size:25 g

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CAS Number

121-52-8

MDL Number

MFCD00007935

Purity

98%

Smiles

O=S(C1=CC=CC([N+]([O-])=O)=C1)(N)=O

Chemical Information

Benzenesulfonamide, 3-nitro-

CAS Number	121-52-8
PubChem CID	67138
IUPAC Name	3-nitrobenzenesulfonamide
Molecular Formula	C6H6N2O4S
Molecular Weight	202.19
XLogP	0.6
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	289

SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)

InChIKey

TXTQURPQLVHJRE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-52-8

CID: 67138

Formula: C6H6N2O4S

MW: 202.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.19
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	202.00482785
Monoisotopic Mass	202.00482785
Topological Polar Surface Area	114 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	289
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
OR79321-01	4-Nitrobenzenesulfonamide
OR1062585-01	N- (3-Aminopropyl) -2-nitrobenzenesulfonamide hydrochloride
OR1066025-01	4-Amino-3-bromo-5-nitrobenzenesulfonamide
OR1014022-01	N- (Allyloxy) -2-Nitrobenzenesulfonamide
OR1063929-01	N-Ethyl-4-nitrobenzenesulfonamide
OR1014401-01	N-Isopropyl-4-Nitrobenzenesulfonamide
OR1063220-01	N-Ethyl-2-nitrobenzenesulfonamide
OR1079628-01	N-Methyl-4-Nitrobenzenesulfonamide
OR1078739-01	N-Benzyloxycarbonyl-2-nitrobenzenesulfonamide
OR1014262-01	N-Benzyl-4-Nitrobenzenesulfonamide

Catalog	Name
RG-E141281-01	3-Nitrobenzenesulfonamide
ICA95578	N-Methyl 3-nitrobenzenesulfonamide
276318-01	4-Fluoro-3-nitrobenzenesulfonamide
sc-349537	4-hydroxy-3-nitrobenzenesulfonamide
C15775-01	4-Chloro-3-nitrobenzenesulfonamide
sc-331241A	N-Cyclohexyl 3-nitrobenzenesulfonamide
sc-331330A	N-Isopropyl 3-nitrobenzenesulfonamide
sc-331222	N-Butyl 3-nitrobenzenesulfonamide
EAA75020	4-Bromo-3-nitrobenzenesulfonamide
433104-01	4-Methyl-3-nitrobenzenesulfonamide