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

C18H16Cl2FNO3S — CID 135310244

IUPAC4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc(Cl)c2F)CCc2c(Cl)cccc21
InChIInChI=1S/C18H16Cl2FNO3S/c1-2-18(10-9-11-12(18)5-3-6-13(11)19)17(23)22-26(24,25)15-8-4-7-14(20)16(15)21/h3-8H,2,9-10H2,1H3,(H,22,23)
InChIKeyGLVRFJJSAPPMHO-UHFFFAOYSA-N
MW416.30 g/mol
LogP4.23
Rot. Bonds4

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

4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310244) has the molecular formula C18H16Cl2FNO3S and a molecular weight of 416.30 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310244
Molecular FormulaC18H16Cl2FNO3S
Molecular Weight416.30 g/mol
Exact Mass415.02
IUPAC Name4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc(Cl)c2F)CCc2c(Cl)cccc21
InChIInChI=1S/C18H16Cl2FNO3S/c1-2-18(10-9-11-12(18)5-3-6-13(11)19)17(23)22-26(24,25)15-8-4-7-14(20)16(15)21/h3-8H,2,9-10H2,1H3,(H,22,23)
InChIKeyGLVRFJJSAPPMHO-UHFFFAOYSA-N
XLogP4.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 54.23
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
4,5-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-(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
2-(3-chlorophenyl)-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
CID 102037107
N-(4-chloro-2-fluorophenyl)sulfonyl-2-(3-chlorophenyl)-2-methylpropanamide
CID 60333879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135310244) is 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2cccc(Cl)c2F)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is GLVRFJJSAPPMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO3S/c1-2-18(10-9-11-12(18)5-3-6-13(11)19)17(23)22-26(24,25)15-8-4-7-14(20)16(15)21/h3-8H,2,9-10H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 416.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).