2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

C19H21ClN2O3S — CID 4571173

IUPAC2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-14-9-10-15(26(24,25)22-11-5-2-6-12-22)13-18(14)21-19(23)16-7-3-4-8-17(16)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyYQNQDYKKFNAUOL-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4571173) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4571173
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-14-9-10-15(26(24,25)22-11-5-2-6-12-22)13-18(14)21-19(23)16-7-3-4-8-17(16)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyYQNQDYKKFNAUOL-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
CID 44160268
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
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
4-(Pyrrolidine-1-sulfonyl)-N-o-tolyl-benzamide
CID 3147990
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
CID 3929877
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4877414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 4571173) is 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is YQNQDYKKFNAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-9-10-15(26(24,25)22-11-5-2-6-12-22)13-18(14)21-19(23)16-7-3-4-8-17(16)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 392.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4571173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).