4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide

C15H14N2O3S — CID 79185383

IUPAC4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(CC#N)cc2)c1
InChIInChI=1S/C15H14N2O3S/c1-20-14-4-2-3-13(11-14)17-21(18,19)15-7-5-12(6-8-15)9-10-16/h2-8,11,17H,9H2,1H3
InChIKeyRURWGFBGYODCPQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.56
Rot. Bonds5

About 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide

4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 79185383) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID79185383
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(CC#N)cc2)c1
InChIInChI=1S/C15H14N2O3S/c1-20-14-4-2-3-13(11-14)17-21(18,19)15-7-5-12(6-8-15)9-10-16/h2-8,11,17H,9H2,1H3
InChIKeyRURWGFBGYODCPQ-UHFFFAOYSA-N
XLogP2.56
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide 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

2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
N-[3-(aminomethyl)phenyl]-4-(cyanomethyl)benzenesulfonamide
CID 79203393
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide
CID 168543230
3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 171134272
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
3-chloro-N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 2975219
methyl N-cyano-N'-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]carbamimidothioate
CID 169362386
N-[3-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369723
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide (CID 79185383) is 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(CC#N)cc2)c1.
What is the InChIKey of 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is RURWGFBGYODCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-14-4-2-3-13(11-14)17-21(18,19)15-7-5-12(6-8-15)9-10-16/h2-8,11,17H,9H2,1H3.
What are the key properties of 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide?
4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 79185383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).