(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride

C13H19ClFN3O3S — CID 119702945

IUPAC(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCCCN2)ccc1F.Cl
InChIInChI=1S/C13H18FN3O3S.ClH/c1-21(19,20)17-12-8-9(5-6-10(12)14)16-13(18)11-4-2-3-7-15-11;/h5-6,8,11,15,17H,2-4,7H2,1H3,(H,16,18);1H/t11-;/m1./s1
InChIKeyZORCEMALDIXIKJ-RFVHGSKJSA-N
MW351.83 g/mol
LogP1.70
Rot. Bonds4

About (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119702945) has the molecular formula C13H19ClFN3O3S and a molecular weight of 351.83 g/mol. Its IUPAC name is (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119702945
Molecular FormulaC13H19ClFN3O3S
Molecular Weight351.83 g/mol
Exact Mass351.08
IUPAC Name(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCCCN2)ccc1F.Cl
InChIInChI=1S/C13H18FN3O3S.ClH/c1-21(19,20)17-12-8-9(5-6-10(12)14)16-13(18)11-4-2-3-7-15-11;/h5-6,8,11,15,17H,2-4,7H2,1H3,(H,16,18);1H/t11-;/m1./s1
InChIKeyZORCEMALDIXIKJ-RFVHGSKJSA-N
XLogP1.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378855
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921201

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119702945) is (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride is CS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCCCN2)ccc1F.Cl.
What is the InChIKey of (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZORCEMALDIXIKJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H18FN3O3S.ClH/c1-21(19,20)17-12-8-9(5-6-10(12)14)16-13(18)11-4-2-3-7-15-11;/h5-6,8,11,15,17H,2-4,7H2,1H3,(H,16,18);1H/t11-;/m1./s1.
What are the key properties of (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119702945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).