5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide

C11H13BrN4O3S — CID 106467435

IUPAC5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(Br)nnn2C)c1
InChIInChI=1S/C11H13BrN4O3S/c1-3-19-9-6-4-5-8(7-9)14-20(17,18)11-10(12)13-15-16(11)2/h4-7,14H,3H2,1-2H3
InChIKeyFUTDJIZVFJOFQT-UHFFFAOYSA-N
MW361.22 g/mol
LogP1.78
Rot. Bonds5

About 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide (PubChem CID 106467435) has the molecular formula C11H13BrN4O3S and a molecular weight of 361.22 g/mol. Its IUPAC name is 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
PubChem CID106467435
Molecular FormulaC11H13BrN4O3S
Molecular Weight361.22 g/mol
Exact Mass359.99
IUPAC Name5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(Br)nnn2C)c1
InChIInChI=1S/C11H13BrN4O3S/c1-3-19-9-6-4-5-8(7-9)14-20(17,18)11-10(12)13-15-16(11)2/h4-7,14H,3H2,1-2H3
InChIKeyFUTDJIZVFJOFQT-UHFFFAOYSA-N
XLogP1.78
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminophenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465418
5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
CID 103354389
5-bromo-3-methyl-N-quinoxalin-6-yltriazole-4-sulfonamide
CID 103354478
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465522
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685
5-bromo-N-(3-fluoro-4-hydroxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106466759
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide
CID 103354457
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide (CID 106467435) is 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide is CCOc1cccc(NS(=O)(=O)c2c(Br)nnn2C)c1.
What is the InChIKey of 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is FUTDJIZVFJOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O3S/c1-3-19-9-6-4-5-8(7-9)14-20(17,18)11-10(12)13-15-16(11)2/h4-7,14H,3H2,1-2H3.
What are the key properties of 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106467435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).