4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide

C23H22ClN3O3S — CID 991664

IUPAC4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide
SMILESO=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClN3O3S/c24-19-11-13-22(14-12-19)31(29,30)26-17-15-25(16-18-26)23(28)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKeyZHXZRLOVSQEFHE-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.60
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide

4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide (PubChem CID 991664) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide
PubChem CID991664
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide
SMILESO=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClN3O3S/c24-19-11-13-22(14-12-19)31(29,30)26-17-15-25(16-18-26)23(28)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKeyZHXZRLOVSQEFHE-UHFFFAOYSA-N
XLogP4.60
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 7408927
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
(3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 27521360
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496065
4-(benzenesulfonyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide
CID 8743565
1,3-benzodioxol-4-yl-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55837113
N-benzyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8743683

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide (CID 991664) is 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide is O=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide?
The InChIKey is ZHXZRLOVSQEFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-19-11-13-22(14-12-19)31(29,30)26-17-15-25(16-18-26)23(28)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14H,15-18H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide?
4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide has a molecular weight of 455.97 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide is sourced from PubChem (CID 991664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).