4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide

C24H24ClN3O3S — CID 11496472

IUPAC4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H24ClN3O3S/c25-20-9-11-22(12-10-20)32(30,31)23-8-4-5-19(17-23)18-27-13-15-28(16-14-27)24(29)26-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2,(H,26,29)
InChIKeyDOHWHMBCXUDGDI-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.52
Rot. Bonds5

About 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11496472) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11496472
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H24ClN3O3S/c25-20-9-11-22(12-10-20)32(30,31)23-8-4-5-19(17-23)18-27-13-15-28(16-14-27)24(29)26-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2,(H,26,29)
InChIKeyDOHWHMBCXUDGDI-UHFFFAOYSA-N
XLogP4.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
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4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 27869546
N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 127026350
(1R,5S)-3-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190626
3-(4-Chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]-1-phenyl-urea
CID 3008346
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 44624598
(2S)-N-(3-chloro-4-fluoro-phenyl)-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
CID 155421462
(2R)-N-(3-chloro-4-fluoro-phenyl)-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
CID 155421467
1-(4-Butylphenyl)-3-[4-(4-chlorophenyl)sulfonyl-1,4-thiazinan-1-ylidene]urea
CID 2821383
4-[(4-chlorophenyl)sulfonyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1297080
4-Chloro-N-(2-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-YL}-5-methylphenyl)benzene-1-sulfonamide
CID 46070974
4-[5-cyano-2-(3,5-dichlorophenyl)sulfanylphenyl]sulfonyl-N-(3-fluorophenyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 11496472) is 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is DOHWHMBCXUDGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-20-9-11-22(12-10-20)32(30,31)23-8-4-5-19(17-23)18-27-13-15-28(16-14-27)24(29)26-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2,(H,26,29).
What are the key properties of 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11496472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).