4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C23H22FN3O4S — CID 24819739

IUPAC4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C23H22FN3O4S/c24-18-7-11-20(12-8-18)32(30,31)25-19-9-5-17(6-10-19)23(29)27-15-13-26(14-16-27)21-3-1-2-4-22(21)28/h1-12,25,28H,13-16H2
InChIKeySIMFQBQIMJCDOE-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.29
Rot. Bonds5

About 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 24819739) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID24819739
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC Name4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C23H22FN3O4S/c24-18-7-11-20(12-8-18)32(30,31)25-19-9-5-17(6-10-19)23(29)27-15-13-26(14-16-27)21-3-1-2-4-22(21)28/h1-12,25,28H,13-16H2
InChIKeySIMFQBQIMJCDOE-UHFFFAOYSA-N
XLogP3.29
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24687975
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 2969019
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 2998546
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 3643573
N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 24979676
BMP activator B06
CID 24980360
4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 25102652
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 24819739) is 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is SIMFQBQIMJCDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c24-18-7-11-20(12-8-18)32(30,31)25-19-9-5-17(6-10-19)23(29)27-15-13-26(14-16-27)21-3-1-2-4-22(21)28/h1-12,25,28H,13-16H2.
What are the key properties of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 455.51 g/mol, XLogP of 3.29, 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-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24819739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).