5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide

C11H20ClN3O3S — CID 46457804

IUPAC5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O3S/c1-9(2)7-18-6-4-5-14-19(16,17)11-10(12)15(3)8-13-11/h8-9,14H,4-7H2,1-3H3
InChIKeyKNXZMRRXZMYUDB-UHFFFAOYSA-N
MW309.82 g/mol
LogP1.41
Rot. Bonds8

About 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide (PubChem CID 46457804) has the molecular formula C11H20ClN3O3S and a molecular weight of 309.82 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide
PubChem CID46457804
Molecular FormulaC11H20ClN3O3S
Molecular Weight309.82 g/mol
Exact Mass309.09
IUPAC Name5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H20ClN3O3S/c1-9(2)7-18-6-4-5-14-19(16,17)11-10(12)15(3)8-13-11/h8-9,14H,4-7H2,1-3H3
InChIKeyKNXZMRRXZMYUDB-UHFFFAOYSA-N
XLogP1.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methylpropoxy)propyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide (CID 46457804) is 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide is CC(C)COCCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide?
The InChIKey is KNXZMRRXZMYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O3S/c1-9(2)7-18-6-4-5-14-19(16,17)11-10(12)15(3)8-13-11/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide has a molecular weight of 309.82 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[3-(2-methylpropoxy)propyl]imidazole-4-sulfonamide is sourced from PubChem (CID 46457804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).