4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole

C14H16ClN3O2S — CID 154737832

IUPAC4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCCn1cc(S(=O)(=O)N2CCc3c(Cl)cccc32)nc1C
InChIInChI=1S/C14H16ClN3O2S/c1-3-17-9-14(16-10(17)2)21(19,20)18-8-7-11-12(15)5-4-6-13(11)18/h4-6,9H,3,7-8H2,1-2H3
InChIKeyWPSXEDPJFPXIPU-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole

4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 154737832) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID154737832
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCCn1cc(S(=O)(=O)N2CCc3c(Cl)cccc32)nc1C
InChIInChI=1S/C14H16ClN3O2S/c1-3-17-9-14(16-10(17)2)21(19,20)18-8-7-11-12(15)5-4-6-13(11)18/h4-6,9H,3,7-8H2,1-2H3
InChIKeyWPSXEDPJFPXIPU-UHFFFAOYSA-N
XLogP2.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole (CID 154737832) is 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole is CCn1cc(S(=O)(=O)N2CCc3c(Cl)cccc32)nc1C.
What is the InChIKey of 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is WPSXEDPJFPXIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-3-17-9-14(16-10(17)2)21(19,20)18-8-7-11-12(15)5-4-6-13(11)18/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 325.82 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 154737832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).