5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide

C9H11ClN4O2S — CID 61217604

IUPAC5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2(C#N)CCC2)c1Cl
InChIInChI=1S/C9H11ClN4O2S/c1-14-6-12-8(7(14)10)17(15,16)13-9(5-11)3-2-4-9/h6,13H,2-4H2,1H3
InChIKeyPKECXIUUONAOOV-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.80
Rot. Bonds3

About 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide (PubChem CID 61217604) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide
PubChem CID61217604
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2(C#N)CCC2)c1Cl
InChIInChI=1S/C9H11ClN4O2S/c1-14-6-12-8(7(14)10)17(15,16)13-9(5-11)3-2-4-9/h6,13H,2-4H2,1H3
InChIKeyPKECXIUUONAOOV-UHFFFAOYSA-N
XLogP0.80
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide (CID 61217604) is 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2(C#N)CCC2)c1Cl.
What is the InChIKey of 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is PKECXIUUONAOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-14-6-12-8(7(14)10)17(15,16)13-9(5-11)3-2-4-9/h6,13H,2-4H2,1H3.
What are the key properties of 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 274.73 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanocyclobutyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 61217604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).