2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole

C16H15ClN2O2S — CID 25182597

IUPAC2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole
SMILESCC(C)S(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H15ClN2O2S/c1-11(2)22(20,21)15-8-3-12-10-19(18-16(12)9-15)14-6-4-13(17)5-7-14/h3-11H,1-2H3
InChIKeyIOXMRDMXNTYSES-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.86
Rot. Bonds3

About 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole

2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole (PubChem CID 25182597) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole
PubChem CID25182597
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole
SMILESCC(C)S(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H15ClN2O2S/c1-11(2)22(20,21)15-8-3-12-10-19(18-16(12)9-15)14-6-4-13(17)5-7-14/h3-11H,1-2H3
InChIKeyIOXMRDMXNTYSES-UHFFFAOYSA-N
XLogP3.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole 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 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole?
The IUPAC name of 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole (CID 25182597) is 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole is CC(C)S(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole?
The InChIKey is IOXMRDMXNTYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-11(2)22(20,21)15-8-3-12-10-19(18-16(12)9-15)14-6-4-13(17)5-7-14/h3-11H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole?
2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole has a molecular weight of 334.83 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-propan-2-ylsulfonylindazole is sourced from PubChem (CID 25182597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).