5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide

C10H17BrN4O3S — CID 103354657

IUPAC5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC1(C)CCOCC1
InChIInChI=1S/C10H17BrN4O3S/c1-10(3-5-18-6-4-10)7-12-19(16,17)9-8(11)13-14-15(9)2/h12H,3-7H2,1-2H3
InChIKeyHPNFAWKOEWQCIU-UHFFFAOYSA-N
MW353.24 g/mol
LogP0.67
Rot. Bonds4

About 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide

5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide (PubChem CID 103354657) has the molecular formula C10H17BrN4O3S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide
PubChem CID103354657
Molecular FormulaC10H17BrN4O3S
Molecular Weight353.24 g/mol
Exact Mass352.02
IUPAC Name5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC1(C)CCOCC1
InChIInChI=1S/C10H17BrN4O3S/c1-10(3-5-18-6-4-10)7-12-19(16,17)9-8(11)13-14-15(9)2/h12H,3-7H2,1-2H3
InChIKeyHPNFAWKOEWQCIU-UHFFFAOYSA-N
XLogP0.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide (CID 103354657) is 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NCC1(C)CCOCC1.
What is the InChIKey of 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide?
The InChIKey is HPNFAWKOEWQCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O3S/c1-10(3-5-18-6-4-10)7-12-19(16,17)9-8(11)13-14-15(9)2/h12H,3-7H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide?
5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide has a molecular weight of 353.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide is sourced from PubChem (CID 103354657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).