1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone

C23H18ClFN2O3S — CID 148502033

IUPAC1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone
SMILESCc1ccccc1CS(=O)(=O)n1ncc2ccc(CC(=O)c3c(F)cccc3Cl)cc21
InChIInChI=1S/C23H18ClFN2O3S/c1-15-5-2-3-6-18(15)14-31(29,30)27-21-11-16(9-10-17(21)13-26-27)12-22(28)23-19(24)7-4-8-20(23)25/h2-11,13H,12,14H2,1H3
InChIKeyMKVJYUPLLJJWET-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.94
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone

1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone (PubChem CID 148502033) has the molecular formula C23H18ClFN2O3S and a molecular weight of 456.93 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone
PubChem CID148502033
Molecular FormulaC23H18ClFN2O3S
Molecular Weight456.93 g/mol
Exact Mass456.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone
SMILESCc1ccccc1CS(=O)(=O)n1ncc2ccc(CC(=O)c3c(F)cccc3Cl)cc21
InChIInChI=1S/C23H18ClFN2O3S/c1-15-5-2-3-6-18(15)14-31(29,30)27-21-11-16(9-10-17(21)13-26-27)12-22(28)23-19(24)7-4-8-20(23)25/h2-11,13H,12,14H2,1H3
InChIKeyMKVJYUPLLJJWET-UHFFFAOYSA-N
XLogP4.94
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone 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 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone (CID 148502033) is 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone is Cc1ccccc1CS(=O)(=O)n1ncc2ccc(CC(=O)c3c(F)cccc3Cl)cc21.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone?
The InChIKey is MKVJYUPLLJJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3S/c1-15-5-2-3-6-18(15)14-31(29,30)27-21-11-16(9-10-17(21)13-26-27)12-22(28)23-19(24)7-4-8-20(23)25/h2-11,13H,12,14H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone?
1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone has a molecular weight of 456.93 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-[1-[(2-methylphenyl)methylsulfonyl]indazol-6-yl]ethanone is sourced from PubChem (CID 148502033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).