N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide

C12H11FN2O2S — CID 5045894

IUPACN-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-9-4-5-10(7-12(9)13)15-18(16,17)11-3-2-6-14-8-11/h2-8,15H,1H3
InChIKeyLAROVSMBHMUJET-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide

N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide (PubChem CID 5045894) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
PubChem CID5045894
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-9-4-5-10(7-12(9)13)15-18(16,17)11-3-2-6-14-8-11/h2-8,15H,1H3
InChIKeyLAROVSMBHMUJET-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide (CID 5045894) is N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccnc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is LAROVSMBHMUJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-9-4-5-10(7-12(9)13)15-18(16,17)11-3-2-6-14-8-11/h2-8,15H,1H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 5045894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).