5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide

C8H14ClN3O3S — CID 102697795

IUPAC5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O3S/c1-6(15-3)4-11-16(13,14)8-7(9)12(2)5-10-8/h5-6,11H,4H2,1-3H3
InChIKeyJZWYTKXBWHZJCA-UHFFFAOYSA-N
MW267.74 g/mol
LogP0.39
Rot. Bonds5

About 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 102697795) has the molecular formula C8H14ClN3O3S and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID102697795
Molecular FormulaC8H14ClN3O3S
Molecular Weight267.74 g/mol
Exact Mass267.04
IUPAC Name5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H14ClN3O3S/c1-6(15-3)4-11-16(13,14)8-7(9)12(2)5-10-8/h5-6,11H,4H2,1-3H3
InChIKeyJZWYTKXBWHZJCA-UHFFFAOYSA-N
XLogP0.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazole-4-sulfonamide, 5-chloro-1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071461
1H-Imidazole-4-sulfonamide, 5-chloro-1-methyl-N-(5-(4-morpholinyl)pentyl)-, monohydrochloride
CID 3071463
5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
CID 3071462
4-(5-Chloro-1-methylimidazol-4-yl)sulfonylmorpholine
CID 35290915
5-chloro-N-(1-methoxypropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 43415282
5-chloro-1-methyl-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-sulfonamide
CID 45822453
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide
CID 53609279
5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide
CID 3071464
5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
CID 63226847
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358
5-chloro-N-(2,2-difluoroethyl)-1-methylimidazole-4-sulfonamide
CID 79090266
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 103836899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide (CID 102697795) is 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide is COC(C)CNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is JZWYTKXBWHZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3S/c1-6(15-3)4-11-16(13,14)8-7(9)12(2)5-10-8/h5-6,11H,4H2,1-3H3.
What are the key properties of 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 267.74 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 102697795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).