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

C23H22FN3O4S — CID 24686694

IUPACN-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C23H22FN3O4S/c24-19-5-1-2-6-20(19)25-32(30,31)18-11-9-17(10-12-18)23(29)27-15-13-26(14-16-27)21-7-3-4-8-22(21)28/h1-12,25,28H,13-16H2
InChIKeyBNQNWNOOAXTCRO-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.29
Rot. Bonds5

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

N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 24686694) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID24686694
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C23H22FN3O4S/c24-19-5-1-2-6-20(19)25-32(30,31)18-11-9-17(10-12-18)23(29)27-15-13-26(14-16-27)21-7-3-4-8-22(21)28/h1-12,25,28H,13-16H2
InChIKeyBNQNWNOOAXTCRO-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-(3-(4-fluorobenzenesulfonamido)-4-hydroxyphenyl)-(1,1'-biphenyl)-4-carboxamide
CID 138005721
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 16239406
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
1-(2-Methoxyphenyl)-4-[4-(1-piperidinylsulfonyl)benzoyl]piperazine
CID 1297523
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
1-[4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide
CID 2517041
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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 24686694) is N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is BNQNWNOOAXTCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c24-19-5-1-2-6-20(19)25-32(30,31)18-11-9-17(10-12-18)23(29)27-15-13-26(14-16-27)21-7-3-4-8-22(21)28/h1-12,25,28H,13-16H2.
What are the key properties of N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]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 N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 24686694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).