1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide

C23H27ClN4O4S — CID 2576777

IUPAC1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)CC1
InChIInChI=1S/C23H27ClN4O4S/c24-21-7-6-19(16-20(21)23(30)27-10-8-17(9-11-27)22(25)29)33(31,32)28-14-12-26(13-15-28)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2,(H2,25,29)
InChIKeyGOQHZWRXDBCVNU-UHFFFAOYSA-N
MW491.01 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide

1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide (PubChem CID 2576777) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
PubChem CID2576777
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)CC1
InChIInChI=1S/C23H27ClN4O4S/c24-21-7-6-19(16-20(21)23(30)27-10-8-17(9-11-27)22(25)29)33(31,32)28-14-12-26(13-15-28)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2,(H2,25,29)
InChIKeyGOQHZWRXDBCVNU-UHFFFAOYSA-N
XLogP2.19
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide 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

Abt-639
CID 46851313
2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2085005
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2473148
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 4829934
2,4-dichloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 132191196
2,4-dichloro-N-(3,5-dichloro-4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 132191197
ABT-639 hydrochloride
CID 122180940
N-(3-chlorophenyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
CID 1216383
1-(3-Chlorophenyl)-4-[4-(1-pyrrolidinylsulfonyl)benzoyl]piperazine
CID 1297596
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1362650

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide (CID 2576777) is 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
The InChIKey is GOQHZWRXDBCVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c24-21-7-6-19(16-20(21)23(30)27-10-8-17(9-11-27)22(25)29)33(31,32)28-14-12-26(13-15-28)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2,(H2,25,29).
What are the key properties of 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide?
1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide has a molecular weight of 491.01 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2576777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).