4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide

C19H17ClF3NO3S — CID 135309755

IUPAC4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCc2c(Cl)cccc21
InChIInChI=1S/C19H17ClF3NO3S/c1-2-18(11-10-12-13(18)7-5-8-15(12)20)17(25)24-28(26,27)16-9-4-3-6-14(16)19(21,22)23/h3-9H,2,10-11H2,1H3,(H,24,25)
InChIKeyQNIKIWKEZARTKE-UHFFFAOYSA-N
MW431.86 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide

4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309755) has the molecular formula C19H17ClF3NO3S and a molecular weight of 431.86 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309755
Molecular FormulaC19H17ClF3NO3S
Molecular Weight431.86 g/mol
Exact Mass431.06
IUPAC Name4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCc2c(Cl)cccc21
InChIInChI=1S/C19H17ClF3NO3S/c1-2-18(11-10-12-13(18)7-5-8-15(12)20)17(25)24-28(26,27)16-9-4-3-6-14(16)19(21,22)23/h3-9H,2,10-11H2,1H3,(H,24,25)
InChIKeyQNIKIWKEZARTKE-UHFFFAOYSA-N
XLogP4.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 54.46
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
1-[5-Chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 90030801
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-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
4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide (CID 135309755) is 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is QNIKIWKEZARTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO3S/c1-2-18(11-10-12-13(18)7-5-8-15(12)20)17(25)24-28(26,27)16-9-4-3-6-14(16)19(21,22)23/h3-9H,2,10-11H2,1H3,(H,24,25).
What are the key properties of 4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide?
4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 431.86 g/mol, XLogP of 4.46, 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-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).