N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide

C25H24ClN3O4S — CID 1240122

IUPACN-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O4S/c26-23-14-13-21(34(32,33)29-15-5-2-6-16-29)17-22(23)25(31)28-20-11-9-19(10-12-20)27-24(30)18-7-3-1-4-8-18/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,30)(H,28,31)
InChIKeyXZQUVORVEVEOHR-UHFFFAOYSA-N
MW498.00 g/mol
LogP5.02
Rot. Bonds6

About N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide

N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 1240122) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
PubChem CID1240122
Molecular FormulaC25H24ClN3O4S
Molecular Weight498.00 g/mol
Exact Mass497.12
IUPAC NameN-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O4S/c26-23-14-13-21(34(32,33)29-15-5-2-6-16-29)17-22(23)25(31)28-20-11-9-19(10-12-20)27-24(30)18-7-3-1-4-8-18/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,30)(H,28,31)
InChIKeyXZQUVORVEVEOHR-UHFFFAOYSA-N
XLogP5.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.00
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43876591
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55480384
2-chloro-N-(4-cyclopentyloxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 46570003
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide (CID 1240122) is N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1)c1ccccc1.
What is the InChIKey of N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XZQUVORVEVEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c26-23-14-13-21(34(32,33)29-15-5-2-6-16-29)17-22(23)25(31)28-20-11-9-19(10-12-20)27-24(30)18-7-3-1-4-8-18/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,30)(H,28,31).
What are the key properties of N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 498.00 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1240122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).