4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide

C25H24FN3O5S — CID 55646338

IUPAC4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc2)ccc1F
InChIInChI=1S/C25H24FN3O5S/c1-17-16-20(10-11-22(17)26)35(33,34)27-19-8-6-18(7-9-19)24(31)28-12-14-29(15-13-28)25(32)21-4-2-3-5-23(21)30/h2-11,16,27,30H,12-15H2,1H3
InChIKeyRWRCFBBACNZELW-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.24
Rot. Bonds5

About 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide

4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 55646338) has the molecular formula C25H24FN3O5S and a molecular weight of 497.55 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
PubChem CID55646338
Molecular FormulaC25H24FN3O5S
Molecular Weight497.55 g/mol
Exact Mass497.14
IUPAC Name4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc2)ccc1F
InChIInChI=1S/C25H24FN3O5S/c1-17-16-20(10-11-22(17)26)35(33,34)27-19-8-6-18(7-9-19)24(31)28-12-14-29(15-13-28)25(32)21-4-2-3-5-23(21)30/h2-11,16,27,30H,12-15H2,1H3
InChIKeyRWRCFBBACNZELW-UHFFFAOYSA-N
XLogP3.24
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
4-fluoro-N-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 112771520
3,4-dimethyl-N-[4-(1-oxo-1,4-thiazinane-4-carbonyl)phenyl]benzenesulfonamide
CID 56535834
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 27671578
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 43009101
N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide (CID 55646338) is 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is RWRCFBBACNZELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5S/c1-17-16-20(10-11-22(17)26)35(33,34)27-19-8-6-18(7-9-19)24(31)28-12-14-29(15-13-28)25(32)21-4-2-3-5-23(21)30/h2-11,16,27,30H,12-15H2,1H3.
What are the key properties of 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 497.55 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 55646338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).