N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

C23H22ClN3O4S — CID 25162618

IUPACN-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C23H22ClN3O4S/c24-19-8-1-2-9-20(19)25-32(30,31)18-7-5-6-17(16-18)23(29)27-14-12-26(13-15-27)21-10-3-4-11-22(21)28/h1-11,16,25,28H,12-15H2
InChIKeyNDBGVXSYPAWALN-UHFFFAOYSA-N
MW471.97 g/mol
LogP3.81
Rot. Bonds5

About N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 25162618) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID25162618
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C23H22ClN3O4S/c24-19-8-1-2-9-20(19)25-32(30,31)18-7-5-6-17(16-18)23(29)27-14-12-26(13-15-27)21-10-3-4-11-22(21)28/h1-11,16,25,28H,12-15H2
InChIKeyNDBGVXSYPAWALN-UHFFFAOYSA-N
XLogP3.81
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholinosulfonyl-benzamide
CID 1087710
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
2-chloro-N-(2-hydroxyphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1316792
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 4659956
BMP activator B06
CID 24980360
2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 25161579
[3-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25163894
[4-Chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 2594952

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 25162618) is N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NDBGVXSYPAWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c24-19-8-1-2-9-20(19)25-32(30,31)18-7-5-6-17(16-18)23(29)27-14-12-26(13-15-27)21-10-3-4-11-22(21)28/h1-11,16,25,28H,12-15H2.
What are the key properties of N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 471.97 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 25162618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).