5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide

C11H19ClN4O3S — CID 3071462

IUPAC5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C11H19ClN4O3S/c1-15-9-13-11(10(15)12)20(17,18)14-3-2-4-16-5-7-19-8-6-16/h9,14H,2-8H2,1H3
InChIKeyKVYXJODMARQBIL-UHFFFAOYSA-N
MW322.82 g/mol
LogP0.07
Rot. Bonds6

About 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (PubChem CID 3071462) has the molecular formula C11H19ClN4O3S and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
PubChem CID3071462
Molecular FormulaC11H19ClN4O3S
Molecular Weight322.82 g/mol
Exact Mass322.09
IUPAC Name5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C11H19ClN4O3S/c1-15-9-13-11(10(15)12)20(17,18)14-3-2-4-16-5-7-19-8-6-16/h9,14H,2-8H2,1H3
InChIKeyKVYXJODMARQBIL-UHFFFAOYSA-N
XLogP0.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 50.07
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-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (CID 3071462) is 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The InChIKey is KVYXJODMARQBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O3S/c1-15-9-13-11(10(15)12)20(17,18)14-3-2-4-16-5-7-19-8-6-16/h9,14H,2-8H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide has a molecular weight of 322.82 g/mol, XLogP of 0.07, 6 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-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 3071462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).