5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide

C11H20ClN3O2S — CID 51892253

IUPAC5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O2S/c1-8(2)6-15(9(3)4)18(16,17)11-10(12)14(5)7-13-11/h7-9H,6H2,1-5H3
InChIKeyKSGPBAUNZDNXBG-UHFFFAOYSA-N
MW293.82 g/mol
LogP2.13
Rot. Bonds5

About 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide

5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide (PubChem CID 51892253) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide
PubChem CID51892253
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O2S/c1-8(2)6-15(9(3)4)18(16,17)11-10(12)14(5)7-13-11/h7-9H,6H2,1-5H3
InChIKeyKSGPBAUNZDNXBG-UHFFFAOYSA-N
XLogP2.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358
5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470193
5-chloro-N-[(2S)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470194
5-chloro-N-(1-cyclopropylethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 43421809
5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
CID 61047067
5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide
CID 35330359
5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide
CID 115650724
5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
CID 79390045
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
CID 35288819

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide (CID 51892253) is 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide is CC(C)CN(C(C)C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is KSGPBAUNZDNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2S/c1-8(2)6-15(9(3)4)18(16,17)11-10(12)14(5)7-13-11/h7-9H,6H2,1-5H3.
What are the key properties of 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 293.82 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 51892253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).