N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C11H13F3N2O2S — CID 84600613

IUPACN-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H13F3N2O2S/c1-7-4-8(5-7)16-19(17,18)9-2-3-10(15-6-9)11(12,13)14/h2-3,6-8,16H,4-5H2,1H3
InChIKeySHWXKPHKNIPNHQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.18
Rot. Bonds3

About N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 84600613) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID84600613
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H13F3N2O2S/c1-7-4-8(5-7)16-19(17,18)9-2-3-10(15-6-9)11(12,13)14/h2-3,6-8,16H,4-5H2,1H3
InChIKeySHWXKPHKNIPNHQ-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 84600613) is N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CC1CC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is SHWXKPHKNIPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-7-4-8(5-7)16-19(17,18)9-2-3-10(15-6-9)11(12,13)14/h2-3,6-8,16H,4-5H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 294.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 84600613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).