5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide

C9H15BrN4O2S — CID 103354625

IUPAC5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2c(Br)nnn2C)CC1
InChIInChI=1S/C9H15BrN4O2S/c1-3-9(4-5-9)6-11-17(15,16)8-7(10)12-13-14(8)2/h11H,3-6H2,1-2H3
InChIKeyZNQTZOGAWPYMHQ-UHFFFAOYSA-N
MW323.22 g/mol
LogP1.05
Rot. Bonds5

About 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide

5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide (PubChem CID 103354625) has the molecular formula C9H15BrN4O2S and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide
PubChem CID103354625
Molecular FormulaC9H15BrN4O2S
Molecular Weight323.22 g/mol
Exact Mass322.01
IUPAC Name5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2c(Br)nnn2C)CC1
InChIInChI=1S/C9H15BrN4O2S/c1-3-9(4-5-9)6-11-17(15,16)8-7(10)12-13-14(8)2/h11H,3-6H2,1-2H3
InChIKeyZNQTZOGAWPYMHQ-UHFFFAOYSA-N
XLogP1.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide (CID 103354625) is 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide is CCC1(CNS(=O)(=O)c2c(Br)nnn2C)CC1.
What is the InChIKey of 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is ZNQTZOGAWPYMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O2S/c1-3-9(4-5-9)6-11-17(15,16)8-7(10)12-13-14(8)2/h11H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 323.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).