5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide

C11H21BrN4O2S — CID 106467629

IUPAC5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H21BrN4O2S/c1-5-9(6-2)8-16(7-3)19(17,18)11-10(12)13-14-15(11)4/h9H,5-8H2,1-4H3
InChIKeyBKDHVWXYTKQRMV-UHFFFAOYSA-N
MW353.29 g/mol
LogP2.02
Rot. Bonds7

About 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide (PubChem CID 106467629) has the molecular formula C11H21BrN4O2S and a molecular weight of 353.29 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
PubChem CID106467629
Molecular FormulaC11H21BrN4O2S
Molecular Weight353.29 g/mol
Exact Mass352.06
IUPAC Name5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H21BrN4O2S/c1-5-9(6-2)8-16(7-3)19(17,18)11-10(12)13-14-15(11)4/h9H,5-8H2,1-4H3
InChIKeyBKDHVWXYTKQRMV-UHFFFAOYSA-N
XLogP2.02
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 106467501
5-bromo-3-methyl-N-prop-2-enyl-N-propyltriazole-4-sulfonamide
CID 106468130
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106466016
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 106468313
methyl 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-propylamino]acetate
CID 106467198
5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467538
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 103354592
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
5-bromo-N-(2-chloro-3-methoxypropyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106468358
5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467722
N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 60764490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide (CID 106467629) is 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is BKDHVWXYTKQRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4O2S/c1-5-9(6-2)8-16(7-3)19(17,18)11-10(12)13-14-15(11)4/h9H,5-8H2,1-4H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 353.29 g/mol, XLogP of 2.02, 7 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-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106467629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).