5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide

C24H23FN2O4S — CID 4138503

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide
SMILESCCOc1ccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)cc1
InChIInChI=1S/C24H23FN2O4S/c1-3-31-19-10-8-18(9-11-19)26(2)24(28)21-16-20(12-13-22(21)25)32(29,30)27-15-14-17-6-4-5-7-23(17)27/h4-13,16H,3,14-15H2,1-2H3
InChIKeyHOJOEZXCBOYVGI-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.25
Rot. Bonds6

About 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide (PubChem CID 4138503) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide
PubChem CID4138503
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide
SMILESCCOc1ccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)cc1
InChIInChI=1S/C24H23FN2O4S/c1-3-31-19-10-8-18(9-11-19)26(2)24(28)21-16-20(12-13-22(21)25)32(29,30)27-15-14-17-6-4-5-7-23(17)27/h4-13,16H,3,14-15H2,1-2H3
InChIKeyHOJOEZXCBOYVGI-UHFFFAOYSA-N
XLogP4.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide (CID 4138503) is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide is CCOc1ccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)cc1.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide?
The InChIKey is HOJOEZXCBOYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-3-31-19-10-8-18(9-11-19)26(2)24(28)21-16-20(12-13-22(21)25)32(29,30)27-15-14-17-6-4-5-7-23(17)27/h4-13,16H,3,14-15H2,1-2H3.
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide has a molecular weight of 454.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 4138503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).