5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide

C14H16FN5O3S — CID 51130190

IUPAC5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C14H16FN5O3S/c15-10-3-5-11(6-4-10)20-13(9-1-2-9)12(18-19-20)14(21)17-7-8-24(16,22)23/h3-6,9H,1-2,7-8H2,(H,17,21)(H2,16,22,23)
InChIKeyDXKHKGLTXXGSQY-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.30
Rot. Bonds6

About 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide

5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide (PubChem CID 51130190) has the molecular formula C14H16FN5O3S and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide
PubChem CID51130190
Molecular FormulaC14H16FN5O3S
Molecular Weight353.38 g/mol
Exact Mass353.10
IUPAC Name5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C14H16FN5O3S/c15-10-3-5-11(6-4-10)20-13(9-1-2-9)12(18-19-20)14(21)17-7-8-24(16,22)23/h3-6,9H,1-2,7-8H2,(H,17,21)(H2,16,22,23)
InChIKeyDXKHKGLTXXGSQY-UHFFFAOYSA-N
XLogP0.30
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119504331
5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide
CID 75463024
1-(4-bromophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]triazole-4-carboxamide
CID 119509494
1-(4-bromophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119509493
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
CID 71881070
1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide
CID 119514720
N-[(4-bromo-3-fluorophenyl)methyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874598
5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide
CID 97012479
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86972051
3-[[1-(4-bromophenyl)-5-cyclopropyltriazole-4-carbonyl]amino]butanoic acid
CID 119221057
1-(4-fluorophenyl)-5-methyl-N-(2-methylsulfanylethyl)triazole-4-carboxamide
CID 86928675
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55658185

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide (CID 51130190) is 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide is NS(=O)(=O)CCNC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide?
The InChIKey is DXKHKGLTXXGSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O3S/c15-10-3-5-11(6-4-10)20-13(9-1-2-9)12(18-19-20)14(21)17-7-8-24(16,22)23/h3-6,9H,1-2,7-8H2,(H,17,21)(H2,16,22,23).
What are the key properties of 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide?
5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide is sourced from PubChem (CID 51130190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).