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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Related Compounds

N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
CID 141437592
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
CID 43604941
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide
CID 141468045
N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
CID 141437586
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 56508356
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-(2,5-difluorophenyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 50824521
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598

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).