4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide

C14H9Cl2FN4O2S — CID 9184424

IUPAC4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H9Cl2FN4O2S/c15-9-2-4-14(11(17)5-9)24(22,23)20-12-6-10(16)1-3-13(12)21-8-18-7-19-21/h1-8,20H
InChIKeyNLHOIRRGXPSNFW-UHFFFAOYSA-N
MW387.22 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide

4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide (PubChem CID 9184424) has the molecular formula C14H9Cl2FN4O2S and a molecular weight of 387.22 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide
PubChem CID9184424
Molecular FormulaC14H9Cl2FN4O2S
Molecular Weight387.22 g/mol
Exact Mass385.98
IUPAC Name4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H9Cl2FN4O2S/c15-9-2-4-14(11(17)5-9)24(22,23)20-12-6-10(16)1-3-13(12)21-8-18-7-19-21/h1-8,20H
InChIKeyNLHOIRRGXPSNFW-UHFFFAOYSA-N
XLogP3.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide
CID 107650644
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
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N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
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5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
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5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
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2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
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N-benzyl-5-chloro-2-(1,2,4-triazol-1-yl)aniline
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2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
CID 35368048
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-difluoroanilino)acetamide
CID 42069734
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide (CID 9184424) is 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is NLHOIRRGXPSNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4O2S/c15-9-2-4-14(11(17)5-9)24(22,23)20-12-6-10(16)1-3-13(12)21-8-18-7-19-21/h1-8,20H.
What are the key properties of 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide?
4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 387.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 9184424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).