N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide

C12H17FN2O2S — CID 79049357

IUPACN-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)C2CCNCC2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-6-10(13)8-11(7-9)15-18(16,17)12-2-4-14-5-3-12/h6-8,12,14-15H,2-5H2,1H3
InChIKeyGLNHUYJNAFLSQM-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.63
Rot. Bonds3

About N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide

N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide (PubChem CID 79049357) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide
PubChem CID79049357
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)C2CCNCC2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-6-10(13)8-11(7-9)15-18(16,17)12-2-4-14-5-3-12/h6-8,12,14-15H,2-5H2,1H3
InChIKeyGLNHUYJNAFLSQM-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide
CID 79049509
N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
CID 107626850
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide
CID 170556519
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
N-(2-oxobenzimidazol-5-yl)piperidine-4-sulfonamide
CID 169489698
N-(2-bromo-4-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
CID 65419614
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide (CID 79049357) is N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide is Cc1cc(F)cc(NS(=O)(=O)C2CCNCC2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide?
The InChIKey is GLNHUYJNAFLSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-6-10(13)8-11(7-9)15-18(16,17)12-2-4-14-5-3-12/h6-8,12,14-15H,2-5H2,1H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide?
N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide is sourced from PubChem (CID 79049357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).