N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide

C13H18ClN3O3S — CID 43711061

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)17-11-6-5-9(8-10(11)14)16-13(18)12-4-2-3-7-15-12/h5-6,8,12,15,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyWGZNHUGWZKCKRI-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.79
Rot. Bonds4

About N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide

N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide (PubChem CID 43711061) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
PubChem CID43711061
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)17-11-6-5-9(8-10(11)14)16-13(18)12-4-2-3-7-15-12/h5-6,8,12,15,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyWGZNHUGWZKCKRI-UHFFFAOYSA-N
XLogP1.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide (CID 43711061) is N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide?
The InChIKey is WGZNHUGWZKCKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-21(19,20)17-11-6-5-9(8-10(11)14)16-13(18)12-4-2-3-7-15-12/h5-6,8,12,15,17H,2-4,7H2,1H3,(H,16,18).
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 43711061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).