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

C9H15BrN4O3S — CID 103354693

IUPAC5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C9H15BrN4O3S/c1-14-9(8(10)12-13-14)18(16,17)11-5-6-2-3-7(15)4-6/h6-7,11,15H,2-5H2,1H3
InChIKeyDXKXQVOZIODTEG-UHFFFAOYSA-N
MW339.22 g/mol
LogP0.02
Rot. Bonds4

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

5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide (PubChem CID 103354693) has the molecular formula C9H15BrN4O3S and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide
PubChem CID103354693
Molecular FormulaC9H15BrN4O3S
Molecular Weight339.22 g/mol
Exact Mass338.00
IUPAC Name5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C9H15BrN4O3S/c1-14-9(8(10)12-13-14)18(16,17)11-5-6-2-3-7(15)4-6/h6-7,11,15H,2-5H2,1H3
InChIKeyDXKXQVOZIODTEG-UHFFFAOYSA-N
XLogP0.02
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106466031
5-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 106466043
5-bromo-3-methyl-N-prop-2-ynyltriazole-4-sulfonamide
CID 106467331
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 103354688
5-bromo-3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-sulfonamide
CID 106467584
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305
5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
CID 106466835
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106898543
5-bromo-3-methyl-N-[3-(methylamino)propyl]triazole-4-sulfonamide
CID 106466972
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide
CID 106467162

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide (CID 103354693) is 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NCC1CCC(O)C1.
What is the InChIKey of 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is DXKXQVOZIODTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O3S/c1-14-9(8(10)12-13-14)18(16,17)11-5-6-2-3-7(15)4-6/h6-7,11,15H,2-5H2,1H3.
What are the key properties of 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 339.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).