3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide

C15H17FN2O4S2 — CID 2947972

IUPAC3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-10-4-9-14(23(17,19)20)11(2)15(10)18(3)24(21,22)13-7-5-12(16)6-8-13/h4-9H,1-3H3,(H2,17,19,20)
InChIKeyJPRQRISNQLELPV-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.92
Rot. Bonds4

About 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide

3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide (PubChem CID 2947972) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide
PubChem CID2947972
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-10-4-9-14(23(17,19)20)11(2)15(10)18(3)24(21,22)13-7-5-12(16)6-8-13/h4-9H,1-3H3,(H2,17,19,20)
InChIKeyJPRQRISNQLELPV-UHFFFAOYSA-N
XLogP1.92
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide 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

4-[[3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylphenyl]sulfonylamino]butanoic acid
CID 71945610
2-[(4-fluorophenyl)sulfonyl-methylamino]-3,4-dimethylbenzoic acid
CID 69306956
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]-3-methylbenzoate
CID 22633899
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
4-fluoro-2,3-dimethylbenzenesulfonamide
CID 119014167
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 166343003

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide (CID 2947972) is 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is JPRQRISNQLELPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-10-4-9-14(23(17,19)20)11(2)15(10)18(3)24(21,22)13-7-5-12(16)6-8-13/h4-9H,1-3H3,(H2,17,19,20).
What are the key properties of 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide?
3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2947972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).