3-methylbenzenesulfonamide

C14H18N2O4S2 — CID 69347063

IUPAC3-methylbenzenesulfonamide
SMILESCc1cccc(S(N)(=O)=O)c1.Cc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/2C7H9NO2S/c2*1-6-3-2-4-7(5-6)11(8,9)10/h2*2-5H,1H3,(H2,8,9,10)
InChIKeyVYJQXIALGYYDNC-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.28
Rot. Bonds2

About 3-methylbenzenesulfonamide

3-methylbenzenesulfonamide (PubChem CID 69347063) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-methylbenzenesulfonamide
PubChem CID69347063
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name3-methylbenzenesulfonamide
SMILESCc1cccc(S(N)(=O)=O)c1.Cc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/2C7H9NO2S/c2*1-6-3-2-4-7(5-6)11(8,9)10/h2*2-5H,1H3,(H2,8,9,10)
InChIKeyVYJQXIALGYYDNC-UHFFFAOYSA-N
XLogP1.28
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methylbenzenesulfonamide 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

benzene-1,3-disulfonamide
CID 3090044
3-(3,5-dimethylphenyl)benzenesulfonamide
CID 140585676
(3-methylphenyl)sulfonylazanide
CID 158627668
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
sodium 3-methylbenzenesulfonate
CID 23684709
2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294148
methyl-(3-methylphenyl)sulfonylazanide
CID 59280538
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
3-iodobenzenesulfonamide
CID 11219806
(3-methylphenyl)sulfonylurea
CID 46224904
3-methoxybenzenesulfonamide
CID 14763060
1-ethenylsulfonyl-3-methylbenzene
CID 62950196

Frequently Asked Questions

What is the IUPAC name of 3-methylbenzenesulfonamide?
The IUPAC name of 3-methylbenzenesulfonamide (CID 69347063) is 3-methylbenzenesulfonamide.
What is the SMILES notation for 3-methylbenzenesulfonamide?
The canonical SMILES for 3-methylbenzenesulfonamide is Cc1cccc(S(N)(=O)=O)c1.Cc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methylbenzenesulfonamide?
The InChIKey is VYJQXIALGYYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO2S/c2*1-6-3-2-4-7(5-6)11(8,9)10/h2*2-5H,1H3,(H2,8,9,10).
What are the key properties of 3-methylbenzenesulfonamide?
3-methylbenzenesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzenesulfonamide is sourced from PubChem (CID 69347063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).