5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide

C11H19BrN4O2S — CID 106467721

IUPAC5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H19BrN4O2S/c1-8(2)6-7-16(9-4-5-9)19(17,18)11-10(12)13-14-15(11)3/h8-9H,4-7H2,1-3H3
InChIKeyOXJZBVJHURRYJH-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.78
Rot. Bonds6

About 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide

5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide (PubChem CID 106467721) has the molecular formula C11H19BrN4O2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
PubChem CID106467721
Molecular FormulaC11H19BrN4O2S
Molecular Weight351.27 g/mol
Exact Mass350.04
IUPAC Name5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C11H19BrN4O2S/c1-8(2)6-7-16(9-4-5-9)19(17,18)11-10(12)13-14-15(11)3/h8-9H,4-7H2,1-3H3
InChIKeyOXJZBVJHURRYJH-UHFFFAOYSA-N
XLogP1.78
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
CID 106467532
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467709
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 106468313
5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
CID 106467629
5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467722
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
CID 106468079
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide (CID 106467721) is 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
The InChIKey is OXJZBVJHURRYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O2S/c1-8(2)6-7-16(9-4-5-9)19(17,18)11-10(12)13-14-15(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide has a molecular weight of 351.27 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide is sourced from PubChem (CID 106467721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).