(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone

C23H22ClN3O3S — CID 27799750

IUPAC(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H22ClN3O3S/c24-20-11-5-7-13-22(20)31(29,30)27-16-14-26(15-17-27)23(28)19-10-4-6-12-21(19)25-18-8-2-1-3-9-18/h1-13,25H,14-17H2
InChIKeyLITPMYHFXQXBKS-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.23
Rot. Bonds5

About (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone

(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27799750) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27799750
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H22ClN3O3S/c24-20-11-5-7-13-22(20)31(29,30)27-16-14-26(15-17-27)23(28)19-10-4-6-12-21(19)25-18-8-2-1-3-9-18/h1-13,25H,14-17H2
InChIKeyLITPMYHFXQXBKS-UHFFFAOYSA-N
XLogP4.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-anilinophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768627
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167691
[2-(4-fluoroanilino)phenyl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30890047
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
CID 112764850
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
(2-anilinophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone
CID 17481067
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 27799663
N-[2-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 32647585
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 27799750) is (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccccc1Nc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is LITPMYHFXQXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-20-11-5-7-13-22(20)31(29,30)27-16-14-26(15-17-27)23(28)19-10-4-6-12-21(19)25-18-8-2-1-3-9-18/h1-13,25H,14-17H2.
What are the key properties of (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 455.97 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27799750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).