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

C11H19ClN4O2S — CID 47164365

IUPAC5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN2CCCC2)c1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-15-9-13-11(10(15)12)19(17,18)14-5-4-8-16-6-2-3-7-16/h9,14H,2-8H2,1H3
InChIKeyLNTRGJMBSIOTRR-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.84
Rot. Bonds6

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

5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide (PubChem CID 47164365) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide
PubChem CID47164365
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN2CCCC2)c1Cl
InChIInChI=1S/C11H19ClN4O2S/c1-15-9-13-11(10(15)12)19(17,18)14-5-4-8-16-6-2-3-7-16/h9,14H,2-8H2,1H3
InChIKeyLNTRGJMBSIOTRR-UHFFFAOYSA-N
XLogP0.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.84
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-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide (CID 47164365) is 5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCN2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide?
The InChIKey is LNTRGJMBSIOTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-15-9-13-11(10(15)12)19(17,18)14-5-4-8-16-6-2-3-7-16/h9,14H,2-8H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 0.84, 6 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-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 47164365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).