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

C19H20ClNO3S — CID 135309744

IUPAC4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2C)CCc2c(Cl)cccc21
InChIInChI=1S/C19H20ClNO3S/c1-3-19(12-11-14-15(19)8-6-9-16(14)20)18(22)21-25(23,24)17-10-5-4-7-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyYEDZHVRLXQACLP-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.75
Rot. Bonds4

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

4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309744) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309744
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2C)CCc2c(Cl)cccc21
InChIInChI=1S/C19H20ClNO3S/c1-3-19(12-11-14-15(19)8-6-9-16(14)20)18(22)21-25(23,24)17-10-5-4-7-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyYEDZHVRLXQACLP-UHFFFAOYSA-N
XLogP3.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (CID 135309744) is 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2ccccc2C)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is YEDZHVRLXQACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-3-19(12-11-14-15(19)8-6-9-16(14)20)18(22)21-25(23,24)17-10-5-4-7-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 377.89 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).