2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide

C24H23ClN2O3S — CID 26727587

IUPAC2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C24H23ClN2O3S/c25-22-14-13-19(31(29,30)27-15-7-2-8-16-27)17-21(22)24(28)26-23-12-6-5-11-20(23)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)
InChIKeyARRXSLROKDZIFE-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.43
Rot. Bonds5

About 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 26727587) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID26727587
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C24H23ClN2O3S/c25-22-14-13-19(31(29,30)27-15-7-2-8-16-27)17-21(22)24(28)26-23-12-6-5-11-20(23)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)
InChIKeyARRXSLROKDZIFE-UHFFFAOYSA-N
XLogP5.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-chloro-N-(2-propoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26897896
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 24979952
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 26727587) is 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1-c1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ARRXSLROKDZIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c25-22-14-13-19(31(29,30)27-15-7-2-8-16-27)17-21(22)24(28)26-23-12-6-5-11-20(23)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28).
What are the key properties of 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 454.98 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26727587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).