4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide

C12H9ClF3N3O2S — CID 45035603

IUPAC4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O2S/c13-9-2-1-7(5-8(9)12(14,15)16)19-10-3-4-18-6-11(10)22(17,20)21/h1-6H,(H,18,19)(H2,17,20,21)
InChIKeyNSUPOFXSQFVKNZ-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.14
Rot. Bonds3

About 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide

4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (PubChem CID 45035603) has the molecular formula C12H9ClF3N3O2S and a molecular weight of 351.74 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
PubChem CID45035603
Molecular FormulaC12H9ClF3N3O2S
Molecular Weight351.74 g/mol
Exact Mass351.01
IUPAC Name4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O2S/c13-9-2-1-7(5-8(9)12(14,15)16)19-10-3-4-18-6-11(10)22(17,20)21/h1-6H,(H,18,19)(H2,17,20,21)
InChIKeyNSUPOFXSQFVKNZ-UHFFFAOYSA-N
XLogP3.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911975
4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
CID 70908235
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
CID 172970649
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
CID 60721760
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152
4-[(3-bromo-4-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 104778505
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714706
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893647
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 11640796
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (CID 45035603) is 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The InChIKey is NSUPOFXSQFVKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2S/c13-9-2-1-7(5-8(9)12(14,15)16)19-10-3-4-18-6-11(10)22(17,20)21/h1-6H,(H,18,19)(H2,17,20,21).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide has a molecular weight of 351.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is sourced from PubChem (CID 45035603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).