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

C16H15FN4O3S — CID 10428717

IUPAC4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C16H15FN4O3S/c1-2-24-16-19-15(11-3-5-12(17)6-4-11)21(20-16)13-7-9-14(10-8-13)25(18,22)23/h3-10H,2H2,1H3,(H2,18,22,23)
InChIKeyKXJQNHAQTWABDU-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.12
Rot. Bonds5

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

4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 10428717) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID10428717
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C16H15FN4O3S/c1-2-24-16-19-15(11-3-5-12(17)6-4-11)21(20-16)13-7-9-14(10-8-13)25(18,22)23/h3-10H,2H2,1H3,(H2,18,22,23)
InChIKeyKXJQNHAQTWABDU-UHFFFAOYSA-N
XLogP2.12
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 155549558
N-[4-(5-Amino-3-p-tolyl-[1,2,4]triazole-1-sulfonyl)-phenyl]-acetamide
CID 647877
4-[5-[4-(Dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide
CID 57345687
4-[2-(4-Fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 49788595
4-[5-(4-Fluorophenyl)tetrazol-1-yl]benzenesulfonamide
CID 57392194
4-[5-(4-Methylphenyl)tetrazol-1-yl]benzenesulfonamide
CID 57393943
4-(5-Phenyltetrazol-1-yl)benzenesulfonamide
CID 57395676
4-[5-[4-(Trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide
CID 57397474
5-(4-Fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole
CID 57400903
5-Phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90682064
Methyl 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxylate
CID 90682065
4-[3-(Hydrazinecarbonyl)-5-phenyl-1,2,4-triazol-1-yl]benzenesulfonamide
CID 90682066

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide (CID 10428717) is 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide is CCOc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is KXJQNHAQTWABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-2-24-16-19-15(11-3-5-12(17)6-4-11)21(20-16)13-7-9-14(10-8-13)25(18,22)23/h3-10H,2H2,1H3,(H2,18,22,23).
What are the key properties of 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 362.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10428717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).