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

C9H14ClN3O2S — CID 115650724

IUPAC5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H14ClN3O2S/c1-12-6-11-9(8(12)10)16(14,15)13(2)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyPQPIBNUQHOADHN-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.25
Rot. Bonds3

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

5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 115650724) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide
PubChem CID115650724
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H14ClN3O2S/c1-12-6-11-9(8(12)10)16(14,15)13(2)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyPQPIBNUQHOADHN-UHFFFAOYSA-N
XLogP1.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide (CID 115650724) is 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide is CN(C1CCC1)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is PQPIBNUQHOADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-12-6-11-9(8(12)10)16(14,15)13(2)7-4-3-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide?
5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 115650724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).