2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide

C24H31ClN4O3S — CID 24979952

IUPAC2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3N3CCCCC3)c2)CC1
InChIInChI=1S/C24H31ClN4O3S/c1-2-27-14-16-29(17-15-27)33(31,32)19-10-11-21(25)20(18-19)24(30)26-22-8-4-5-9-23(22)28-12-6-3-7-13-28/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,26,30)
InChIKeyYSVZMAWDLNAATP-UHFFFAOYSA-N
MW491.06 g/mol
LogP3.91
Rot. Bonds6

About 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide

2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 24979952) has the molecular formula C24H31ClN4O3S and a molecular weight of 491.06 g/mol. Its IUPAC name is 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID24979952
Molecular FormulaC24H31ClN4O3S
Molecular Weight491.06 g/mol
Exact Mass490.18
IUPAC Name2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3N3CCCCC3)c2)CC1
InChIInChI=1S/C24H31ClN4O3S/c1-2-27-14-16-29(17-15-27)33(31,32)19-10-11-21(25)20(18-19)24(30)26-22-8-4-5-9-23(22)28-12-6-3-7-13-28/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,26,30)
InChIKeyYSVZMAWDLNAATP-UHFFFAOYSA-N
XLogP3.91
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.06
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide 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-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide
CID 25337195
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
2-chloro-N-(2-propoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26897896
2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-fluorobenzamide
CID 24979568
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
phenyl 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzoate
CID 8765429

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide (CID 24979952) is 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide is CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3N3CCCCC3)c2)CC1.
What is the InChIKey of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is YSVZMAWDLNAATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3S/c1-2-27-14-16-29(17-15-27)33(31,32)19-10-11-21(25)20(18-19)24(30)26-22-8-4-5-9-23(22)28-12-6-3-7-13-28/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,26,30).
What are the key properties of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide?
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 491.06 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 24979952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).