2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide

C20H22ClN3O4S — CID 55835371

IUPAC2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl
InChIInChI=1S/C20H22ClN3O4S/c1-22-20(26)17-13-15(8-9-18(17)21)23-19(25)14-6-5-7-16(12-14)29(27,28)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyAEFRMPZQDQLWGB-UHFFFAOYSA-N
MW435.93 g/mol
LogP3.13
Rot. Bonds5

About 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide

2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 55835371) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
PubChem CID55835371
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl
InChIInChI=1S/C20H22ClN3O4S/c1-22-20(26)17-13-15(8-9-18(17)21)23-19(25)14-6-5-7-16(12-14)29(27,28)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyAEFRMPZQDQLWGB-UHFFFAOYSA-N
XLogP3.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835241
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide (CID 55835371) is 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide is CNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is AEFRMPZQDQLWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-22-20(26)17-13-15(8-9-18(17)21)23-19(25)14-6-5-7-16(12-14)29(27,28)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 435.93 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 55835371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).