6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide

C12H8ClF3N2O3S — CID 70291084

IUPAC6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C12H8ClF3N2O3S/c13-9-5-7(12(14,15)16)1-3-10(9)21-11-4-2-8(6-18-11)22(17,19)20/h1-6H,(H2,17,19,20)
InChIKeyBESODARTBFWKND-UHFFFAOYSA-N
MW352.72 g/mol
LogP3.19
Rot. Bonds3

About 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide

6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide (PubChem CID 70291084) has the molecular formula C12H8ClF3N2O3S and a molecular weight of 352.72 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide
PubChem CID70291084
Molecular FormulaC12H8ClF3N2O3S
Molecular Weight352.72 g/mol
Exact Mass351.99
IUPAC Name6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C12H8ClF3N2O3S/c13-9-5-7(12(14,15)16)1-3-10(9)21-11-4-2-8(6-18-11)22(17,19)20/h1-6H,(H2,17,19,20)
InChIKeyBESODARTBFWKND-UHFFFAOYSA-N
XLogP3.19
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoate
CID 7084639
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164
6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
6-(2-fluoro-3-methylphenoxy)pyridine-3-sulfonamide
CID 107655560
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
CID 115928099
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
6-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112572688
6-(3,5-dimethoxyphenoxy)pyridine-3-sulfonamide
CID 115928101
6-naphthalen-1-yloxypyridine-3-sulfonamide
CID 115928043

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide (CID 70291084) is 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)nc1.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide?
The InChIKey is BESODARTBFWKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O3S/c13-9-5-7(12(14,15)16)1-3-10(9)21-11-4-2-8(6-18-11)22(17,19)20/h1-6H,(H2,17,19,20).
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide?
6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide has a molecular weight of 352.72 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 70291084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).