5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide

C11H16ClN3O3S — CID 103864185

IUPAC5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCOC2C2CC2)c1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-15-6-13-11(10(15)12)19(16,17)14-8-4-5-18-9(8)7-2-3-7/h6-9,14H,2-5H2,1H3
InChIKeyZTUHHTIBFSGGPE-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.92
Rot. Bonds4

About 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 103864185) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide
PubChem CID103864185
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCOC2C2CC2)c1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-15-6-13-11(10(15)12)19(16,17)14-8-4-5-18-9(8)7-2-3-7/h6-9,14H,2-5H2,1H3
InChIKeyZTUHHTIBFSGGPE-UHFFFAOYSA-N
XLogP0.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide (CID 103864185) is 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCOC2C2CC2)c1Cl.
What is the InChIKey of 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is ZTUHHTIBFSGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-15-6-13-11(10(15)12)19(16,17)14-8-4-5-18-9(8)7-2-3-7/h6-9,14H,2-5H2,1H3.
What are the key properties of 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 305.79 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopropyloxolan-3-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103864185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).