4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

C15H9Cl2F3N4O2S — CID 22226762

IUPAC4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H9Cl2F3N4O2S/c16-11-3-1-2-10(12(11)17)13-22-14(15(18,19)20)23-24(13)8-4-6-9(7-5-8)27(21,25)26/h1-7H,(H2,21,25,26)
InChIKeyYPIYDPHKXDTYLZ-UHFFFAOYSA-N
MW437.23 g/mol
LogP3.91
Rot. Bonds3

About 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 22226762) has the molecular formula C15H9Cl2F3N4O2S and a molecular weight of 437.23 g/mol. Its IUPAC name is 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID22226762
Molecular FormulaC15H9Cl2F3N4O2S
Molecular Weight437.23 g/mol
Exact Mass435.98
IUPAC Name4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H9Cl2F3N4O2S/c16-11-3-1-2-10(12(11)17)13-22-14(15(18,19)20)23-24(13)8-4-6-9(7-5-8)27(21,25)26/h1-7H,(H2,21,25,26)
InChIKeyYPIYDPHKXDTYLZ-UHFFFAOYSA-N
XLogP3.91
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (CID 22226762) is 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is YPIYDPHKXDTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4O2S/c16-11-3-1-2-10(12(11)17)13-22-14(15(18,19)20)23-24(13)8-4-6-9(7-5-8)27(21,25)26/h1-7H,(H2,21,25,26).
What are the key properties of 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 437.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22226762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).