4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C12H8ClF3N2O2S — CID 139196524

IUPAC4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-9-2-4-10(5-3-9)21(19,20)18-11-6-1-8(7-17-11)12(14,15)16/h1-7H,(H,17,18)
InChIKeyVJHKVVBMESEREE-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.55
Rot. Bonds3

About 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 139196524) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID139196524
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC Name4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-9-2-4-10(5-3-9)21(19,20)18-11-6-1-8(7-17-11)12(14,15)16/h1-7H,(H,17,18)
InChIKeyVJHKVVBMESEREE-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

2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
Arylsulfonylpiperazine, 20
CID 44237024
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene
CID 785520
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
Arylsulfonylpiperazine, 22
CID 44237026
4-chloro-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2426990

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 139196524) is 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is VJHKVVBMESEREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-9-2-4-10(5-3-9)21(19,20)18-11-6-1-8(7-17-11)12(14,15)16/h1-7H,(H,17,18).
What are the key properties of 4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 139196524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).