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

C19H17ClN2O3S — CID 135309752

IUPAC4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2C#N)CCc2c(Cl)cccc21
InChIInChI=1S/C19H17ClN2O3S/c1-2-19(11-10-14-15(19)7-5-8-16(14)20)18(23)22-26(24,25)17-9-4-3-6-13(17)12-21/h3-9H,2,10-11H2,1H3,(H,22,23)
InChIKeyPDVMJXOJRWFKHB-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.31
Rot. Bonds4

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

4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309752) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309752
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2C#N)CCc2c(Cl)cccc21
InChIInChI=1S/C19H17ClN2O3S/c1-2-19(11-10-14-15(19)7-5-8-16(14)20)18(23)22-26(24,25)17-9-4-3-6-13(17)12-21/h3-9H,2,10-11H2,1H3,(H,22,23)
InChIKeyPDVMJXOJRWFKHB-UHFFFAOYSA-N
XLogP3.31
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135309752) is 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2ccccc2C#N)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is PDVMJXOJRWFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-2-19(11-10-14-15(19)7-5-8-16(14)20)18(23)22-26(24,25)17-9-4-3-6-13(17)12-21/h3-9H,2,10-11H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 3.31, 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-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).