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

C19H20ClN3O4S — CID 55835241

IUPAC2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-21-19(25)16-12-14(7-8-17(16)20)22-18(24)13-5-4-6-15(11-13)28(26,27)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyVKTJRJCKWNSPOT-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.74
Rot. Bonds5

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

2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 55835241) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
PubChem CID55835241
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-21-19(25)16-12-14(7-8-17(16)20)22-18(24)13-5-4-6-15(11-13)28(26,27)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyVKTJRJCKWNSPOT-UHFFFAOYSA-N
XLogP2.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
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-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide (CID 55835241) is 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide is CNC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is VKTJRJCKWNSPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-21-19(25)16-12-14(7-8-17(16)20)22-18(24)13-5-4-6-15(11-13)28(26,27)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 421.91 g/mol, XLogP of 2.74, 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-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 55835241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).