5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide

C9H16ClN3O3S — CID 47429832

IUPAC5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-7(5-16-3)4-12-17(14,15)9-8(10)13(2)6-11-9/h6-7,12H,4-5H2,1-3H3
InChIKeyVFLOTUDKCACASI-UHFFFAOYSA-N
MW281.77 g/mol
LogP0.63
Rot. Bonds6

About 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 47429832) has the molecular formula C9H16ClN3O3S and a molecular weight of 281.77 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
PubChem CID47429832
Molecular FormulaC9H16ClN3O3S
Molecular Weight281.77 g/mol
Exact Mass281.06
IUPAC Name5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-7(5-16-3)4-12-17(14,15)9-8(10)13(2)6-11-9/h6-7,12H,4-5H2,1-3H3
InChIKeyVFLOTUDKCACASI-UHFFFAOYSA-N
XLogP0.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide (CID 47429832) is 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide is COCC(C)CNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is VFLOTUDKCACASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3S/c1-7(5-16-3)4-12-17(14,15)9-8(10)13(2)6-11-9/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 281.77 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 47429832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).