5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide

C12H21ClN4O2S — CID 105416340

IUPAC5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ncn(C)c2Cl)CCC1
InChIInChI=1S/C12H21ClN4O2S/c1-15(2)12(6-5-7-12)8-17(4)20(18,19)11-10(13)16(3)9-14-11/h9H,5-8H2,1-4H3
InChIKeyQVQXRFDMGUMNME-UHFFFAOYSA-N
MW320.85 g/mol
LogP1.18
Rot. Bonds5

About 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide

5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 105416340) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID105416340
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC Name5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ncn(C)c2Cl)CCC1
InChIInChI=1S/C12H21ClN4O2S/c1-15(2)12(6-5-7-12)8-17(4)20(18,19)11-10(13)16(3)9-14-11/h9H,5-8H2,1-4H3
InChIKeyQVQXRFDMGUMNME-UHFFFAOYSA-N
XLogP1.18
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide (CID 105416340) is 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2ncn(C)c2Cl)CCC1.
What is the InChIKey of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is QVQXRFDMGUMNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2S/c1-15(2)12(6-5-7-12)8-17(4)20(18,19)11-10(13)16(3)9-14-11/h9H,5-8H2,1-4H3.
What are the key properties of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 320.85 g/mol, XLogP of 1.18, 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-(dimethylamino)cyclobutyl]methyl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 105416340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).