1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone

C24H23ClN2O3S — CID 112764850

IUPAC1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H23ClN2O3S/c25-21-13-7-8-14-22(21)31(29,30)27-17-15-26(16-18-27)24(28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyUDIGXLFOZTXPSZ-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.01
Rot. Bonds5

About 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone (PubChem CID 112764850) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
PubChem CID112764850
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H23ClN2O3S/c25-21-13-7-8-14-22(21)31(29,30)27-17-15-26(16-18-27)24(28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyUDIGXLFOZTXPSZ-UHFFFAOYSA-N
XLogP4.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 51151012
(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27799750
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26570877
[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110799419
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 55702670
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8693920
(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8693918

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone (CID 112764850) is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is UDIGXLFOZTXPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c25-21-13-7-8-14-22(21)31(29,30)27-17-15-26(16-18-27)24(28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2.
What are the key properties of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone?
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 454.98 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 112764850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).