N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H11F3N2O3S — CID 5237912

IUPACN-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C13H11F3N2O3S/c1-9-2-7-12(17-8-9)18-22(19,20)11-5-3-10(4-6-11)21-13(14,15)16/h2-8H,1H3,(H,17,18)
InChIKeyJDHURBGCENHTIB-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.09
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 5237912) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID5237912
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC NameN-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C13H11F3N2O3S/c1-9-2-7-12(17-8-9)18-22(19,20)11-5-3-10(4-6-11)21-13(14,15)16/h2-8H,1H3,(H,17,18)
InChIKeyJDHURBGCENHTIB-UHFFFAOYSA-N
XLogP3.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 5237912) is N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JDHURBGCENHTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-9-2-7-12(17-8-9)18-22(19,20)11-5-3-10(4-6-11)21-13(14,15)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 332.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 5237912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).