4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide

C21H19FN2O5S2 — CID 24993539

IUPAC4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C21H19FN2O5S2/c1-29-17-7-11-19(12-8-17)31(27,28)24-14-13-15-3-2-4-20(21(15)24)23-30(25,26)18-9-5-16(22)6-10-18/h2-12,23H,13-14H2,1H3
InChIKeySDEFBLQPTUNCQL-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.39
Rot. Bonds6

About 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide

4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide (PubChem CID 24993539) has the molecular formula C21H19FN2O5S2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
PubChem CID24993539
Molecular FormulaC21H19FN2O5S2
Molecular Weight462.52 g/mol
Exact Mass462.07
IUPAC Name4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C21H19FN2O5S2/c1-29-17-7-11-19(12-8-17)31(27,28)24-14-13-15-3-2-4-20(21(15)24)23-30(25,26)18-9-5-16(22)6-10-18/h2-12,23H,13-14H2,1H3
InChIKeySDEFBLQPTUNCQL-UHFFFAOYSA-N
XLogP3.39
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide
CID 54235410
7-(furan-2-yl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 66757469
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635382
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
CID 56588672

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide (CID 24993539) is 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccc(F)cc4)c32)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
The InChIKey is SDEFBLQPTUNCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5S2/c1-29-17-7-11-19(12-8-17)31(27,28)24-14-13-15-3-2-4-20(21(15)24)23-30(25,26)18-9-5-16(22)6-10-18/h2-12,23H,13-14H2,1H3.
What are the key properties of 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide?
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide has a molecular weight of 462.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide is sourced from PubChem (CID 24993539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).