4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

C19H16ClFN2O3S — CID 135310327

IUPAC4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CCc2c(Cl)cccc21
InChIInChI=1S/C19H16ClFN2O3S/c1-2-19(10-9-12-14(19)5-3-6-15(12)20)18(24)23-27(25,26)17-8-4-7-16(21)13(17)11-22/h3-8H,2,9-10H2,1H3,(H,23,24)
InChIKeyYPJWNTQWPDULSV-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.45
Rot. Bonds4

About 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310327) has the molecular formula C19H16ClFN2O3S and a molecular weight of 406.87 g/mol. Its IUPAC name is 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310327
Molecular FormulaC19H16ClFN2O3S
Molecular Weight406.87 g/mol
Exact Mass406.06
IUPAC Name4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CCc2c(Cl)cccc21
InChIInChI=1S/C19H16ClFN2O3S/c1-2-19(10-9-12-14(19)5-3-6-15(12)20)18(24)23-27(25,26)17-8-4-7-16(21)13(17)11-22/h3-8H,2,9-10H2,1H3,(H,23,24)
InChIKeyYPJWNTQWPDULSV-UHFFFAOYSA-N
XLogP3.45
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(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-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310329
N-(2-cyano-5-fluorophenyl)sulfonyl-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 137543262
(2R)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide
CID 100723756
(2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide
CID 100723764

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135310327) is 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is YPJWNTQWPDULSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S/c1-2-19(10-9-12-14(19)5-3-6-15(12)20)18(24)23-27(25,26)17-8-4-7-16(21)13(17)11-22/h3-8H,2,9-10H2,1H3,(H,23,24).
What are the key properties of 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).