2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide

C14H15NO4S2 — CID 851380

IUPAC2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H15NO4S2/c1-11-8-9-13(20(2,16)17)10-14(11)21(18,19)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyQAFQIJJZOOMADW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.20
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide

2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide (PubChem CID 851380) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide
PubChem CID851380
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H15NO4S2/c1-11-8-9-13(20(2,16)17)10-14(11)21(18,19)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyQAFQIJJZOOMADW-UHFFFAOYSA-N
XLogP2.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide (CID 851380) is 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide is Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide?
The InChIKey is QAFQIJJZOOMADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-11-8-9-13(20(2,16)17)10-14(11)21(18,19)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3.
What are the key properties of 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide?
2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 851380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).