5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide

C9H15BrN4O3S — CID 106898543

IUPAC5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C9H15BrN4O3S/c1-14-9(8(10)11-13-14)18(16,17)12-7-4-2-3-6(7)5-15/h6-7,12,15H,2-5H2,1H3
InChIKeySCZVSHNRHLXFCI-UHFFFAOYSA-N
MW339.22 g/mol
LogP0.02
Rot. Bonds4

About 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide

5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide (PubChem CID 106898543) has the molecular formula C9H15BrN4O3S and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
PubChem CID106898543
Molecular FormulaC9H15BrN4O3S
Molecular Weight339.22 g/mol
Exact Mass338.00
IUPAC Name5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C9H15BrN4O3S/c1-14-9(8(10)11-13-14)18(16,17)12-7-4-2-3-6(7)5-15/h6-7,12,15H,2-5H2,1H3
InChIKeySCZVSHNRHLXFCI-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

5-bromo-N-[2-(bromomethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106367508
5-bromo-N-(2-chlorocycloheptyl)-3-methyltriazole-4-sulfonamide
CID 106468468
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
5-bromo-3-methyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-sulfonamide
CID 106467102
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide
CID 106466282
4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106466031
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
CID 103835912
5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide
CID 106466931
5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide
CID 103354693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide (CID 106898543) is 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NC1CCCC1CO.
What is the InChIKey of 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is SCZVSHNRHLXFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O3S/c1-14-9(8(10)11-13-14)18(16,17)12-7-4-2-3-6(7)5-15/h6-7,12,15H,2-5H2,1H3.
What are the key properties of 5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-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-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106898543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).