4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide

C22H20ClNO3S — CID 135309683

IUPAC4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2c(Cl)cccc21
InChIInChI=1S/C22H20ClNO3S/c1-2-22(14-13-17-18(22)10-6-11-19(17)23)21(25)24-28(26,27)20-12-5-8-15-7-3-4-9-16(15)20/h3-12H,2,13-14H2,1H3,(H,24,25)
InChIKeyKQRZFGPEOZFREN-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.59
Rot. Bonds4

About 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide

4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309683) has the molecular formula C22H20ClNO3S and a molecular weight of 413.93 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309683
Molecular FormulaC22H20ClNO3S
Molecular Weight413.93 g/mol
Exact Mass413.09
IUPAC Name4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2c(Cl)cccc21
InChIInChI=1S/C22H20ClNO3S/c1-2-22(14-13-17-18(22)10-6-11-19(17)23)21(25)24-28(26,27)20-12-5-8-15-7-3-4-9-16(15)20/h3-12H,2,13-14H2,1H3,(H,24,25)
InChIKeyKQRZFGPEOZFREN-UHFFFAOYSA-N
XLogP4.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.59
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-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide (CID 135309683) is 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is KQRZFGPEOZFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3S/c1-2-22(14-13-17-18(22)10-6-11-19(17)23)21(25)24-28(26,27)20-12-5-8-15-7-3-4-9-16(15)20/h3-12H,2,13-14H2,1H3,(H,24,25).
What are the key properties of 4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
4-chloro-1-ethyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 4.59, 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-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).