5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide

C11H19ClN4O2S — CID 63207525

IUPAC5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-14-9-13-11(10(14)12)19(17,18)15(2)7-8-16-5-3-4-6-16/h9H,3-8H2,1-2H3
InChIKeyWAQOQGXGZWCJRO-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.79
Rot. Bonds5

About 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide

5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide (PubChem CID 63207525) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
PubChem CID63207525
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-14-9-13-11(10(14)12)19(17,18)15(2)7-8-16-5-3-4-6-16/h9H,3-8H2,1-2H3
InChIKeyWAQOQGXGZWCJRO-UHFFFAOYSA-N
XLogP0.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 105416340
5-chloro-N-(cyclohexylmethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 60745346
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-(1-ethylpiperidin-4-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 35324425
N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
CID 35288819
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 35303260
5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
CID 61047067
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358
5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide
CID 35303507
5-chloro-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55259471

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide (CID 63207525) is 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide is CN(CCN1CCCC1)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
The InChIKey is WAQOQGXGZWCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-14-9-13-11(10(14)12)19(17,18)15(2)7-8-16-5-3-4-6-16/h9H,3-8H2,1-2H3.
What are the key properties of 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63207525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).