2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide

C19H16F3N3O3S — CID 169108742

IUPAC2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H16F3N3O3S/c1-23-29(27,28)17-11-12(4-9-16(17)26)15-3-2-10-24-18(15)25-14-7-5-13(6-8-14)19(20,21)22/h2-11,23,26H,1H3,(H,24,25)
InChIKeyNKAJELDPTSJBJU-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.12
Rot. Bonds5

About 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide

2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide (PubChem CID 169108742) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide
PubChem CID169108742
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H16F3N3O3S/c1-23-29(27,28)17-11-12(4-9-16(17)26)15-3-2-10-24-18(15)25-14-7-5-13(6-8-14)19(20,21)22/h2-11,23,26H,1H3,(H,24,25)
InChIKeyNKAJELDPTSJBJU-UHFFFAOYSA-N
XLogP4.12
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide (CID 169108742) is 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide is CNS(=O)(=O)c1cc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is NKAJELDPTSJBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-23-29(27,28)17-11-12(4-9-16(17)26)15-3-2-10-24-18(15)25-14-7-5-13(6-8-14)19(20,21)22/h2-11,23,26H,1H3,(H,24,25).
What are the key properties of 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide?
2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide has a molecular weight of 423.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 169108742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).