4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide

C22H19ClFNO3S — CID 135309746

IUPAC4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccc(F)c3ccccc23)CCc2c(Cl)cccc21
InChIInChI=1S/C22H19ClFNO3S/c1-2-22(13-12-16-17(22)8-5-9-18(16)23)21(26)25-29(27,28)20-11-10-19(24)14-6-3-4-7-15(14)20/h3-11H,2,12-13H2,1H3,(H,25,26)
InChIKeyBKEOQFMYUDOOBW-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.73
Rot. Bonds4

About 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide

4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309746) has the molecular formula C22H19ClFNO3S and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309746
Molecular FormulaC22H19ClFNO3S
Molecular Weight431.92 g/mol
Exact Mass431.08
IUPAC Name4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccc(F)c3ccccc23)CCc2c(Cl)cccc21
InChIInChI=1S/C22H19ClFNO3S/c1-2-22(13-12-16-17(22)8-5-9-18(16)23)21(26)25-29(27,28)20-11-10-19(24)14-6-3-4-7-15(14)20/h3-11H,2,12-13H2,1H3,(H,25,26)
InChIKeyBKEOQFMYUDOOBW-UHFFFAOYSA-N
XLogP4.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309674
4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309755
4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309793
4-chloro-1-ethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309795
4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310004
4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310054
4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310173
4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310244
4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310327
4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310329
4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309683
4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide (CID 135309746) is 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2ccc(F)c3ccccc23)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is BKEOQFMYUDOOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO3S/c1-2-22(13-12-16-17(22)8-5-9-18(16)23)21(26)25-29(27,28)20-11-10-19(24)14-6-3-4-7-15(14)20/h3-11H,2,12-13H2,1H3,(H,25,26).
What are the key properties of 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide?
4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).