N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide

C23H20ClFN2O3S — CID 5005125

IUPACN-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C23H20ClFN2O3S/c24-20-7-3-1-5-16(20)11-13-26-23(28)19-15-18(9-10-21(19)25)31(29,30)27-14-12-17-6-2-4-8-22(17)27/h1-10,15H,11-14H2,(H,26,28)
InChIKeyWMZSHJDIAHFFHX-UHFFFAOYSA-N
MW458.94 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide

N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (PubChem CID 5005125) has the molecular formula C23H20ClFN2O3S and a molecular weight of 458.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
PubChem CID5005125
Molecular FormulaC23H20ClFN2O3S
Molecular Weight458.94 g/mol
Exact Mass458.09
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C23H20ClFN2O3S/c24-20-7-3-1-5-16(20)11-13-26-23(28)19-15-18(9-10-21(19)25)31(29,30)27-14-12-17-6-2-4-8-22(17)27/h1-10,15H,11-14H2,(H,26,28)
InChIKeyWMZSHJDIAHFFHX-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide 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 N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (CID 5005125) is N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is O=C(NCCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is WMZSHJDIAHFFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3S/c24-20-7-3-1-5-16(20)11-13-26-23(28)19-15-18(9-10-21(19)25)31(29,30)27-14-12-17-6-2-4-8-22(17)27/h1-10,15H,11-14H2,(H,26,28).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 458.94 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 5005125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).