(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone

C20H20F2N2O4S — CID 112833918

IUPAC(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(F)cc(F)cc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H20F2N2O4S/c1-28-18-5-4-13(10-19(18)29(26,27)23-7-2-3-8-23)20(25)24-9-6-15-16(22)11-14(21)12-17(15)24/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyINSCHLBIHSOLQD-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.96
Rot. Bonds4

About (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone

(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 112833918) has the molecular formula C20H20F2N2O4S and a molecular weight of 422.45 g/mol. Its IUPAC name is (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID112833918
Molecular FormulaC20H20F2N2O4S
Molecular Weight422.45 g/mol
Exact Mass422.11
IUPAC Name(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(F)cc(F)cc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H20F2N2O4S/c1-28-18-5-4-13(10-19(18)29(26,27)23-7-2-3-8-23)20(25)24-9-6-15-16(22)11-14(21)12-17(15)24/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyINSCHLBIHSOLQD-UHFFFAOYSA-N
XLogP2.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone 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 (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 112833918) is (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone is COc1ccc(C(=O)N2CCc3c(F)cc(F)cc32)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is INSCHLBIHSOLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4S/c1-28-18-5-4-13(10-19(18)29(26,27)23-7-2-3-8-23)20(25)24-9-6-15-16(22)11-14(21)12-17(15)24/h4-5,10-12H,2-3,6-9H2,1H3.
What are the key properties of (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 422.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 112833918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).