N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C18H16F3N5O3S — CID 155950022

IUPACN-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H16F3N5O3S/c1-2-26(14-8-4-3-5-9-14)30(28,29)23-17(27)16-12-25(24-22-16)15-10-6-7-13(11-15)18(19,20)21/h3-12H,2H2,1H3,(H,23,27)
InChIKeyJBIPHUDSCJYRQU-UHFFFAOYSA-N
MW439.42 g/mol
LogP2.79
Rot. Bonds6

About N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 155950022) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID155950022
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC NameN-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H16F3N5O3S/c1-2-26(14-8-4-3-5-9-14)30(28,29)23-17(27)16-12-25(24-22-16)15-10-6-7-13(11-15)18(19,20)21/h3-12H,2H2,1H3,(H,23,27)
InChIKeyJBIPHUDSCJYRQU-UHFFFAOYSA-N
XLogP2.79
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 155958354
(E)-2-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]hex-4-enoic acid
CID 120692776
N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119565658
N-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119653449
N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 166235240
N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 99695730
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672
1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 155950022) is N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is CCN(c1ccccc1)S(=O)(=O)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is JBIPHUDSCJYRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c1-2-26(14-8-4-3-5-9-14)30(28,29)23-17(27)16-12-25(24-22-16)15-10-6-7-13(11-15)18(19,20)21/h3-12H,2H2,1H3,(H,23,27).
What are the key properties of N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 155950022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).