6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide

C12H10F3N3O2S — CID 902005

IUPAC6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-2-1-3-9(6-8)18-11-5-4-10(7-17-11)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyZUUFZCASOATXJR-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.49
Rot. Bonds3

About 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide

6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (PubChem CID 902005) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
PubChem CID902005
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-2-1-3-9(6-8)18-11-5-4-10(7-17-11)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyZUUFZCASOATXJR-UHFFFAOYSA-N
XLogP2.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfapyridine
CID 5336
1-(4-Methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 848971
Sulfapyridine Sodium
CID 23667654
BM-960102
CID 819349
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
N-(Pyridin-2-yl) arylsulfonamide, 12
CID 3812801
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 6
CID 44237014
N-(4-Fluorobenzyl)-N-(2-Methylpropyl)-6-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyridine-3-Sulfonamide
CID 86277915
1-(3-Methylphenyl)-3-(2-pyridinyl)thiourea
CID 2730970

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (CID 902005) is 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The InChIKey is ZUUFZCASOATXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-2-1-3-9(6-8)18-11-5-4-10(7-17-11)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20).
What are the key properties of 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide has a molecular weight of 317.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is sourced from PubChem (CID 902005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).