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

C11H20Cl2N4O3S — CID 3071461

IUPAC5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C11H19ClN4O3S.ClH/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;1H
InChIKeyBMEUUVGPSKZMDO-UHFFFAOYSA-N
MW359.28 g/mol
LogP0.50
Rot. Bonds6

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

5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (PubChem CID 3071461) has the molecular formula C11H20Cl2N4O3S and a molecular weight of 359.28 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
PubChem CID3071461
Molecular FormulaC11H20Cl2N4O3S
Molecular Weight359.28 g/mol
Exact Mass358.06
IUPAC Name5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C11H19ClN4O3S.ClH/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;1H
InChIKeyBMEUUVGPSKZMDO-UHFFFAOYSA-N
XLogP0.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 50.50
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;hydrochloride?
The IUPAC name of 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride (CID 3071461) is 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride is Cl.Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The InChIKey is BMEUUVGPSKZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O3S.ClH/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;1H.
What are the key properties of 5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride has a molecular weight of 359.28 g/mol, XLogP of 0.50, 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;hydrochloride is sourced from PubChem (CID 3071461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).