1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide

C19H20ClN3O4S — CID 99952888

IUPAC1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C19H20ClN3O4S/c20-17-7-6-14(22-28(26,27)15-4-2-1-3-5-15)12-16(17)19(25)23-10-8-13(9-11-23)18(21)24/h1-7,12-13,22H,8-11H2,(H2,21,24)
InChIKeyVYGFSGGMBZVMHE-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.48
Rot. Bonds5

About 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide

1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide (PubChem CID 99952888) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
PubChem CID99952888
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C19H20ClN3O4S/c20-17-7-6-14(22-28(26,27)15-4-2-1-3-5-15)12-16(17)19(25)23-10-8-13(9-11-23)18(21)24/h1-7,12-13,22H,8-11H2,(H2,21,24)
InChIKeyVYGFSGGMBZVMHE-UHFFFAOYSA-N
XLogP2.48
TPSA109.57 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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
CID 28632123
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 19257691
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55954056
N-[2-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119374273
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide (CID 99952888) is 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1.
What is the InChIKey of 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide?
The InChIKey is VYGFSGGMBZVMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c20-17-7-6-14(22-28(26,27)15-4-2-1-3-5-15)12-16(17)19(25)23-10-8-13(9-11-23)18(21)24/h1-7,12-13,22H,8-11H2,(H2,21,24).
What are the key properties of 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide?
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 99952888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).