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

C18H17ClFNO3S — CID 135310173

IUPAC4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2F)CCc2c(Cl)cccc21
InChIInChI=1S/C18H17ClFNO3S/c1-2-18(11-10-12-13(18)6-5-7-14(12)19)17(22)21-25(23,24)16-9-4-3-8-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyNOKCDMRZODIMMW-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.58
Rot. Bonds4

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

4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310173) has the molecular formula C18H17ClFNO3S and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310173
Molecular FormulaC18H17ClFNO3S
Molecular Weight381.86 g/mol
Exact Mass381.06
IUPAC Name4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2F)CCc2c(Cl)cccc21
InChIInChI=1S/C18H17ClFNO3S/c1-2-18(11-10-12-13(18)6-5-7-14(12)19)17(22)21-25(23,24)16-9-4-3-8-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyNOKCDMRZODIMMW-UHFFFAOYSA-N
XLogP3.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.58
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-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (CID 135310173) is 4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2ccccc2F)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is NOKCDMRZODIMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3S/c1-2-18(11-10-12-13(18)6-5-7-14(12)19)17(22)21-25(23,24)16-9-4-3-8-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of 4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.58, 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-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).