2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide

C10H13N3O2S — CID 107804201

IUPAC2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCN)c1C#N
InChIInChI=1S/C10H13N3O2S/c1-8-3-2-4-10(9(8)7-12)13-16(14,15)6-5-11/h2-4,13H,5-6,11H2,1H3
InChIKeyIDZDPMMMOQCBGA-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide

2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide (PubChem CID 107804201) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
PubChem CID107804201
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCN)c1C#N
InChIInChI=1S/C10H13N3O2S/c1-8-3-2-4-10(9(8)7-12)13-16(14,15)6-5-11/h2-4,13H,5-6,11H2,1H3
InChIKeyIDZDPMMMOQCBGA-UHFFFAOYSA-N
XLogP0.57
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-methylphenyl)-3-methylbutane-1-sulfonamide
CID 103920607
N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide
CID 79588959
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 103920662
4-amino-3-bromo-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802523
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 107804251
4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid
CID 43580600
3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 100616708
1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
CID 151507260
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide
CID 103920613
4-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-5-methylhexanamide
CID 107805055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide (CID 107804201) is 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide is Cc1cccc(NS(=O)(=O)CCN)c1C#N.
What is the InChIKey of 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide?
The InChIKey is IDZDPMMMOQCBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-8-3-2-4-10(9(8)7-12)13-16(14,15)6-5-11/h2-4,13H,5-6,11H2,1H3.
What are the key properties of 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide?
2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 107804201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).