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

C20H22ClNO3S — CID 135309696

IUPAC4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccc(C)cc2C)CCc2c(Cl)cccc21
InChIInChI=1S/C20H22ClNO3S/c1-4-20(11-10-15-16(20)6-5-7-17(15)21)19(23)22-26(24,25)18-9-8-13(2)12-14(18)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyKQYJQJSNOMFHJN-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.06
Rot. Bonds4

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

4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309696) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309696
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccc(C)cc2C)CCc2c(Cl)cccc21
InChIInChI=1S/C20H22ClNO3S/c1-4-20(11-10-15-16(20)6-5-7-17(15)21)19(23)22-26(24,25)18-9-8-13(2)12-14(18)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyKQYJQJSNOMFHJN-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135309696) is 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2ccc(C)cc2C)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is KQYJQJSNOMFHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c1-4-20(11-10-15-16(20)6-5-7-17(15)21)19(23)22-26(24,25)18-9-8-13(2)12-14(18)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,23).
What are the key properties of 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).