4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide

C19H19ClFNO3S — CID 135310329

IUPAC4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc(F)c2C)CCc2c(Cl)cccc21
InChIInChI=1S/C19H19ClFNO3S/c1-3-19(11-10-13-14(19)6-4-7-15(13)20)18(23)22-26(24,25)17-9-5-8-16(21)12(17)2/h4-9H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyHVUMTZIDALDCGK-UHFFFAOYSA-N
MW395.88 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide

4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310329) has the molecular formula C19H19ClFNO3S and a molecular weight of 395.88 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310329
Molecular FormulaC19H19ClFNO3S
Molecular Weight395.88 g/mol
Exact Mass395.08
IUPAC Name4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc(F)c2C)CCc2c(Cl)cccc21
InChIInChI=1S/C19H19ClFNO3S/c1-3-19(11-10-13-14(19)6-4-7-15(13)20)18(23)22-26(24,25)17-9-5-8-16(21)12(17)2/h4-9H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyHVUMTZIDALDCGK-UHFFFAOYSA-N
XLogP3.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-(2-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 52305877
4-chloro-N-(2,3-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309674
4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309706
4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309746
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-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
2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
CID 102037107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (CID 135310329) is 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2cccc(F)c2C)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is HVUMTZIDALDCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3S/c1-3-19(11-10-13-14(19)6-4-7-15(13)20)18(23)22-26(24,25)17-9-5-8-16(21)12(17)2/h4-9H,3,10-11H2,1-2H3,(H,22,23).
What are the key properties of 4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 395.88 g/mol, XLogP of 3.89, 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-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).