5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide

C19H16FNO4S2 — CID 25047098

IUPAC5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FNO4S2/c1-14-7-12-18(26(22,23)17-5-3-2-4-6-17)13-19(14)27(24,25)21-16-10-8-15(20)9-11-16/h2-13,21H,1H3
InChIKeyZWTFCNKDSVSBFJ-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.77
Rot. Bonds5

About 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide

5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 25047098) has the molecular formula C19H16FNO4S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID25047098
Molecular FormulaC19H16FNO4S2
Molecular Weight405.47 g/mol
Exact Mass405.05
IUPAC Name5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FNO4S2/c1-14-7-12-18(26(22,23)17-5-3-2-4-6-17)13-19(14)27(24,25)21-16-10-8-15(20)9-11-16/h2-13,21H,1H3
InChIKeyZWTFCNKDSVSBFJ-UHFFFAOYSA-N
XLogP3.77
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide (CID 25047098) is 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is ZWTFCNKDSVSBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S2/c1-14-7-12-18(26(22,23)17-5-3-2-4-6-17)13-19(14)27(24,25)21-16-10-8-15(20)9-11-16/h2-13,21H,1H3.
What are the key properties of 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 25047098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).