N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide

C12H17FN2O2S — CID 43114273

IUPACN-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCCNC2)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-12(11(13)7-9)15-18(16,17)10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyNWMVAHJZWAVKGQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.63
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide

N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide (PubChem CID 43114273) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
PubChem CID43114273
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCCNC2)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-12(11(13)7-9)15-18(16,17)10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyNWMVAHJZWAVKGQ-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide (CID 43114273) is N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide is Cc1ccc(NS(=O)(=O)C2CCCNC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide?
The InChIKey is NWMVAHJZWAVKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-4-5-12(11(13)7-9)15-18(16,17)10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide?
N-(2-fluoro-4-methylphenyl)piperidine-3-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-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 43114273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).