2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide

C16H16N2O4S — CID 110777916

IUPAC2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C#N)c(OC)c1C
InChIInChI=1S/C16H16N2O4S/c1-11-14(21-2)9-8-13(16(11)22-3)18-23(19,20)15-7-5-4-6-12(15)10-17/h4-9,18H,1-3H3
InChIKeyQCVVSCOJBLCVRG-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.68
Rot. Bonds5

About 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide

2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide (PubChem CID 110777916) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
PubChem CID110777916
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C#N)c(OC)c1C
InChIInChI=1S/C16H16N2O4S/c1-11-14(21-2)9-8-13(16(11)22-3)18-23(19,20)15-7-5-4-6-12(15)10-17/h4-9,18H,1-3H3
InChIKeyQCVVSCOJBLCVRG-UHFFFAOYSA-N
XLogP2.68
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)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

N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68952502
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide (CID 110777916) is 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2C#N)c(OC)c1C.
What is the InChIKey of 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide?
The InChIKey is QCVVSCOJBLCVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-14(21-2)9-8-13(16(11)22-3)18-23(19,20)15-7-5-4-6-12(15)10-17/h4-9,18H,1-3H3.
What are the key properties of 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide?
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 110777916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).