4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide

C17H17FN4O3S — CID 10045059

IUPAC4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H17FN4O3S/c1-2-11-25-17-20-16(12-3-5-13(18)6-4-12)22(21-17)14-7-9-15(10-8-14)26(19,23)24/h3-10H,2,11H2,1H3,(H2,19,23,24)
InChIKeyBYWJSIMGRYUABB-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.51
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide

4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 10045059) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID10045059
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H17FN4O3S/c1-2-11-25-17-20-16(12-3-5-13(18)6-4-12)22(21-17)14-7-9-15(10-8-14)26(19,23)24/h3-10H,2,11H2,1H3,(H2,19,23,24)
InChIKeyBYWJSIMGRYUABB-UHFFFAOYSA-N
XLogP2.51
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide (CID 10045059) is 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide is CCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is BYWJSIMGRYUABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-2-11-25-17-20-16(12-3-5-13(18)6-4-12)22(21-17)14-7-9-15(10-8-14)26(19,23)24/h3-10H,2,11H2,1H3,(H2,19,23,24).
What are the key properties of 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-propoxy-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10045059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).