4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

C11H17BrN4O4S — CID 106466031

IUPAC4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCn1nnc(Br)c1S(=O)(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17BrN4O4S/c1-16-10(9(12)14-15-16)21(19,20)13-6-7-2-4-8(5-3-7)11(17)18/h7-8,13H,2-6H2,1H3,(H,17,18)
InChIKeyJMFCYFFOIJXJCW-UHFFFAOYSA-N
MW381.25 g/mol
LogP0.75
Rot. Bonds5

About 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106466031) has the molecular formula C11H17BrN4O4S and a molecular weight of 381.25 g/mol. Its IUPAC name is 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID106466031
Molecular FormulaC11H17BrN4O4S
Molecular Weight381.25 g/mol
Exact Mass380.02
IUPAC Name4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCn1nnc(Br)c1S(=O)(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17BrN4O4S/c1-16-10(9(12)14-15-16)21(19,20)13-6-7-2-4-8(5-3-7)11(17)18/h7-8,13H,2-6H2,1H3,(H,17,18)
InChIKeyJMFCYFFOIJXJCW-UHFFFAOYSA-N
XLogP0.75
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide
CID 103354693
5-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 106466043
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106898543
1-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106466109
4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525732
2-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 106466045
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526211
5-bromo-N-[2-(bromomethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106367508
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558
5-bromo-3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-sulfonamide
CID 106467584
5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide
CID 106466282

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (CID 106466031) is 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is Cn1nnc(Br)c1S(=O)(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JMFCYFFOIJXJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O4S/c1-16-10(9(12)14-15-16)21(19,20)13-6-7-2-4-8(5-3-7)11(17)18/h7-8,13H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 381.25 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106466031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).