N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide

C11H14N2O3S — CID 107468255

IUPACN-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)C(C)C
InChIInChI=1S/C11H14N2O3S/c1-8(2)17(14,15)13-11-9(7-12)5-4-6-10(11)16-3/h4-6,8,13H,1-3H3
InChIKeySJBNBOYGPANPQV-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.72
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide

N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide (PubChem CID 107468255) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
PubChem CID107468255
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)C(C)C
InChIInChI=1S/C11H14N2O3S/c1-8(2)17(14,15)13-11-9(7-12)5-4-6-10(11)16-3/h4-6,8,13H,1-3H3
InChIKeySJBNBOYGPANPQV-UHFFFAOYSA-N
XLogP1.72
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
CID 107468261
methyl 3-[(2-cyano-6-methoxyphenyl)sulfamoyl]propanoate
CID 107468233
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349
N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 107468276
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
CID 107468020
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]benzonitrile
CID 107466948
3-methoxy-2-(1-phenylpropan-2-ylamino)benzonitrile
CID 107466700
2-(1-ethoxypropan-2-ylamino)-3-methoxybenzonitrile
CID 107466942
2-(hexan-2-ylamino)-3-methoxybenzonitrile
CID 107466667

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide (CID 107468255) is N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide is COc1cccc(C#N)c1NS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide?
The InChIKey is SJBNBOYGPANPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(2)17(14,15)13-11-9(7-12)5-4-6-10(11)16-3/h4-6,8,13H,1-3H3.
What are the key properties of N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide?
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 107468255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).