5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide

C11H18ClN3O2S — CID 103743754

IUPAC5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide
SMILESCC(C)C1(CNS(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C11H18ClN3O2S/c1-8(2)11(4-5-11)6-14-18(16,17)10-9(12)15(3)7-13-10/h7-8,14H,4-6H2,1-3H3
InChIKeyAZUIRASEYBAWNS-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.79
Rot. Bonds5

About 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide (PubChem CID 103743754) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide
PubChem CID103743754
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide
SMILESCC(C)C1(CNS(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C11H18ClN3O2S/c1-8(2)11(4-5-11)6-14-18(16,17)10-9(12)15(3)7-13-10/h7-8,14H,4-6H2,1-3H3
InChIKeyAZUIRASEYBAWNS-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide
CID 115359369
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide
CID 47027496
5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
CID 107271238
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-N-(5-hydroxy-4-methylpentyl)-1-methylimidazole-4-sulfonamide
CID 103858809
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
CID 113431393
5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
CID 61395268
5-chloro-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazole-4-sulfonamide
CID 62847232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide (CID 103743754) is 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide is CC(C)C1(CNS(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide?
The InChIKey is AZUIRASEYBAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-8(2)11(4-5-11)6-14-18(16,17)10-9(12)15(3)7-13-10/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 103743754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).