N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide

C13H18FN3O3S — CID 131961579

IUPACN-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCCN(S(N)(=O)=O)C2)c1
InChIInChI=1S/C13H18FN3O3S/c1-9-4-5-11(14)12(7-9)16-13(18)10-3-2-6-17(8-10)21(15,19)20/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyQVDHEXZMFXYBPI-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.99
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide

N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide (PubChem CID 131961579) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide
PubChem CID131961579
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC NameN-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCCN(S(N)(=O)=O)C2)c1
InChIInChI=1S/C13H18FN3O3S/c1-9-4-5-11(14)12(7-9)16-13(18)10-3-2-6-17(8-10)21(15,19)20/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyQVDHEXZMFXYBPI-UHFFFAOYSA-N
XLogP0.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 125061964
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414147
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550082
(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780070
N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 43042471
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119422310
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide (CID 131961579) is N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide is Cc1ccc(F)c(NC(=O)C2CCCN(S(N)(=O)=O)C2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide?
The InChIKey is QVDHEXZMFXYBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-9-4-5-11(14)12(7-9)16-13(18)10-3-2-6-17(8-10)21(15,19)20/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide?
N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide is sourced from PubChem (CID 131961579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).