5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide

C7H12ClN3O2S — CID 43456033

IUPAC5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C7H12ClN3O2S/c1-4-11(3)14(12,13)7-6(8)10(2)5-9-7/h5H,4H2,1-3H3
InChIKeyPSKNFIUKWQLBRX-UHFFFAOYSA-N
MW237.71 g/mol
LogP0.71
Rot. Bonds3

About 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide

5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 43456033) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
PubChem CID43456033
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC Name5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C7H12ClN3O2S/c1-4-11(3)14(12,13)7-6(8)10(2)5-9-7/h5H,4H2,1-3H3
InChIKeyPSKNFIUKWQLBRX-UHFFFAOYSA-N
XLogP0.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
CID 79390045
N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
CID 35288819
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256582
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358
5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
CID 63207525
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-1-methyl-N,N-dipentylimidazole-4-sulfonamide
CID 61047067
5-chloro-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55259471
5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide
CID 35303507
5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide
CID 115650724
5-chloro-N-(1-ethylpiperidin-4-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 35324425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide (CID 43456033) is 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide is CCN(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is PSKNFIUKWQLBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S/c1-4-11(3)14(12,13)7-6(8)10(2)5-9-7/h5H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide?
5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 237.71 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 43456033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).