N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide

C16H14F2N4O2S — CID 141437589

IUPACN-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide
SMILESCCc1cn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)nn1
InChIInChI=1S/C16H14F2N4O2S/c1-2-12-10-22(21-19-12)13-4-6-14(7-5-13)25(23,24)20-16-9-11(17)3-8-15(16)18/h3-10,20H,2H2,1H3
InChIKeyUOOPEMLJGXDEHX-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.91
Rot. Bonds5

About N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide

N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide (PubChem CID 141437589) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide
PubChem CID141437589
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC NameN-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide
SMILESCCc1cn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)nn1
InChIInChI=1S/C16H14F2N4O2S/c1-2-12-10-22(21-19-12)13-4-6-14(7-5-13)25(23,24)20-16-9-11(17)3-8-15(16)18/h3-10,20H,2H2,1H3
InChIKeyUOOPEMLJGXDEHX-UHFFFAOYSA-N
XLogP2.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide (CID 141437589) is N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide is CCc1cn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)nn1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide?
The InChIKey is UOOPEMLJGXDEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-2-12-10-22(21-19-12)13-4-6-14(7-5-13)25(23,24)20-16-9-11(17)3-8-15(16)18/h3-10,20H,2H2,1H3.
What are the key properties of N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide?
N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 141437589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).