5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide

C23H21FN2O3S — CID 4199420

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C23H21FN2O3S/c1-2-16-7-3-5-9-21(16)25-23(27)19-15-18(11-12-20(19)24)30(28,29)26-14-13-17-8-4-6-10-22(17)26/h3-12,15H,2,13-14H2,1H3,(H,25,27)
InChIKeyOGWXEISTTQOBJT-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.39
Rot. Bonds5

About 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide (PubChem CID 4199420) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide
PubChem CID4199420
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C23H21FN2O3S/c1-2-16-7-3-5-9-21(16)25-23(27)19-15-18(11-12-20(19)24)30(28,29)26-14-13-17-8-4-6-10-22(17)26/h3-12,15H,2,13-14H2,1H3,(H,25,27)
InChIKeyOGWXEISTTQOBJT-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

USP30 inhibitor 18
CID 142474792
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
CID 3241048
1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534872
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide (CID 4199420) is 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide is CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
The InChIKey is OGWXEISTTQOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-2-16-7-3-5-9-21(16)25-23(27)19-15-18(11-12-20(19)24)30(28,29)26-14-13-17-8-4-6-10-22(17)26/h3-12,15H,2,13-14H2,1H3,(H,25,27).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide has a molecular weight of 424.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 4199420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).