5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide

C9H16ClN3O3S — CID 79390045

IUPAC5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-9(2,14)5-13(4)17(15,16)8-7(10)12(3)6-11-8/h6,14H,5H2,1-4H3
InChIKeyZHKULOPEVYOELA-UHFFFAOYSA-N
MW281.76 g/mol
LogP0.46
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide

5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 79390045) has the molecular formula C9H16ClN3O3S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
PubChem CID79390045
Molecular FormulaC9H16ClN3O3S
Molecular Weight281.76 g/mol
Exact Mass281.06
IUPAC Name5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-9(2,14)5-13(4)17(15,16)8-7(10)12(3)6-11-8/h6,14H,5H2,1-4H3
InChIKeyZHKULOPEVYOELA-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide (CID 79390045) is 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is ZHKULOPEVYOELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3S/c1-9(2,14)5-13(4)17(15,16)8-7(10)12(3)6-11-8/h6,14H,5H2,1-4H3.
What are the key properties of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide?
5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 281.76 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 79390045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).