(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide

C13H18ClN3O3S — CID 81118445

IUPAC(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)17-10-4-5-11(14)12(7-10)16-13(18)9-3-2-6-15-8-9/h4-5,7,9,15,17H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyXKYQAMGYRHMLRL-VIFPVBQESA-N
MW331.83 g/mol
LogP1.65
Rot. Bonds4

About (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide

(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide (PubChem CID 81118445) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
PubChem CID81118445
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)17-10-4-5-11(14)12(7-10)16-13(18)9-3-2-6-15-8-9/h4-5,7,9,15,17H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyXKYQAMGYRHMLRL-VIFPVBQESA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-(2-chloro-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 55150235
methyl 4-chloro-3-[[(3R)-piperidine-3-carbonyl]amino]benzoate
CID 28807387
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43706823
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide (CID 81118445) is (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide is CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
The InChIKey is XKYQAMGYRHMLRL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-21(19,20)17-10-4-5-11(14)12(7-10)16-13(18)9-3-2-6-15-8-9/h4-5,7,9,15,17H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81118445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).