4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C12H8ClF3N2O2S — CID 86785423

IUPAC4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-9-1-3-10(4-2-9)21(19,20)18-11-7-8(5-6-17-11)12(14,15)16/h1-7H,(H,17,18)
InChIKeyDHZJXFKIWAUFNF-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.55
Rot. Bonds3

About 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 86785423) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID86785423
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC Name4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-9-1-3-10(4-2-9)21(19,20)18-11-7-8(5-6-17-11)12(14,15)16/h1-7H,(H,17,18)
InChIKeyDHZJXFKIWAUFNF-UHFFFAOYSA-N
XLogP3.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
CID 102006525
sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
CID 174221328
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 114279820
3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 44586063
4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286006
2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
CID 114052244
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
CID 144695801
N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561
N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24538181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 86785423) is 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is DHZJXFKIWAUFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-9-1-3-10(4-2-9)21(19,20)18-11-7-8(5-6-17-11)12(14,15)16/h1-7H,(H,17,18).
What are the key properties of 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 336.72 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 86785423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).