N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

C13H11F3N2O2S — CID 3812801

IUPACN-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O2S/c1-9-3-2-4-12(17-9)18-21(19,20)11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3,(H,17,18)
InChIKeyCLWXZIOUEAXYJL-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.21
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3812801) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3812801
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O2S/c1-9-3-2-4-12(17-9)18-21(19,20)11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3,(H,17,18)
InChIKeyCLWXZIOUEAXYJL-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (CID 3812801) is N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CLWXZIOUEAXYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-9-3-2-4-12(17-9)18-21(19,20)11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3812801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).