4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

C18H16ClF2NO3S — CID 135310004

IUPAC4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2c(F)cccc2F)CCc2c(Cl)cccc21
InChIInChI=1S/C18H16ClF2NO3S/c1-2-18(10-9-11-12(18)5-3-6-13(11)19)17(23)22-26(24,25)16-14(20)7-4-8-15(16)21/h3-8H,2,9-10H2,1H3,(H,22,23)
InChIKeyJIDJZQSYPDJKJT-UHFFFAOYSA-N
MW399.85 g/mol
LogP3.72
Rot. Bonds4

About 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310004) has the molecular formula C18H16ClF2NO3S and a molecular weight of 399.85 g/mol. Its IUPAC name is 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310004
Molecular FormulaC18H16ClF2NO3S
Molecular Weight399.85 g/mol
Exact Mass399.05
IUPAC Name4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2c(F)cccc2F)CCc2c(Cl)cccc21
InChIInChI=1S/C18H16ClF2NO3S/c1-2-18(10-9-11-12(18)5-3-6-13(11)19)17(23)22-26(24,25)16-14(20)7-4-8-15(16)21/h3-8H,2,9-10H2,1H3,(H,22,23)
InChIKeyJIDJZQSYPDJKJT-UHFFFAOYSA-N
XLogP3.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135310004) is 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2c(F)cccc2F)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is JIDJZQSYPDJKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO3S/c1-2-18(10-9-11-12(18)5-3-6-13(11)19)17(23)22-26(24,25)16-14(20)7-4-8-15(16)21/h3-8H,2,9-10H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 399.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).