5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide

C11H12BrFN4O2S — CID 103354480

IUPAC5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H12BrFN4O2S/c1-3-17(9-6-4-5-8(13)7-9)20(18,19)11-10(12)14-15-16(11)2/h4-7H,3H2,1-2H3
InChIKeyBYTSAXHZQVSZQP-UHFFFAOYSA-N
MW363.21 g/mol
LogP1.93
Rot. Bonds4

About 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide (PubChem CID 103354480) has the molecular formula C11H12BrFN4O2S and a molecular weight of 363.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide
PubChem CID103354480
Molecular FormulaC11H12BrFN4O2S
Molecular Weight363.21 g/mol
Exact Mass361.98
IUPAC Name5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H12BrFN4O2S/c1-3-17(9-6-4-5-8(13)7-9)20(18,19)11-10(12)14-15-16(11)2/h4-7H,3H2,1-2H3
InChIKeyBYTSAXHZQVSZQP-UHFFFAOYSA-N
XLogP1.93
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467521
5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270925
5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
CID 106467629
N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 60534153
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467728
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 146141091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide (CID 103354480) is 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide is CCN(c1cccc(F)c1)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is BYTSAXHZQVSZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O2S/c1-3-17(9-6-4-5-8(13)7-9)20(18,19)11-10(12)14-15-16(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 363.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).