5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide

C13H23ClN4O3S — CID 3071464

IUPAC5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H23ClN4O3S/c1-17-11-15-13(12(17)14)22(19,20)16-5-3-2-4-6-18-7-9-21-10-8-18/h11,16H,2-10H2,1H3
InChIKeyJTEWWWJBNXMBIF-UHFFFAOYSA-N
MW350.87 g/mol
LogP0.85
Rot. Bonds8

About 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide (PubChem CID 3071464) has the molecular formula C13H23ClN4O3S and a molecular weight of 350.87 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide
PubChem CID3071464
Molecular FormulaC13H23ClN4O3S
Molecular Weight350.87 g/mol
Exact Mass350.12
IUPAC Name5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H23ClN4O3S/c1-17-11-15-13(12(17)14)22(19,20)16-5-3-2-4-6-18-7-9-21-10-8-18/h11,16H,2-10H2,1H3
InChIKeyJTEWWWJBNXMBIF-UHFFFAOYSA-N
XLogP0.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide (CID 3071464) is 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCCCN2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide?
The InChIKey is JTEWWWJBNXMBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O3S/c1-17-11-15-13(12(17)14)22(19,20)16-5-3-2-4-6-18-7-9-21-10-8-18/h11,16H,2-10H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide has a molecular weight of 350.87 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide is sourced from PubChem (CID 3071464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).