5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide

C22H19FN2O4S — CID 4650478

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C22H19FN2O4S/c1-29-21-9-5-3-7-19(21)24-22(26)17-14-16(10-11-18(17)23)30(27,28)25-13-12-15-6-2-4-8-20(15)25/h2-11,14H,12-13H2,1H3,(H,24,26)
InChIKeySIDHNHXRHRVNBJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.84
Rot. Bonds5

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide (PubChem CID 4650478) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
PubChem CID4650478
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C22H19FN2O4S/c1-29-21-9-5-3-7-19(21)24-22(26)17-14-16(10-11-18(17)23)30(27,28)25-13-12-15-6-2-4-8-20(15)25/h2-11,14H,12-13H2,1H3,(H,24,26)
InChIKeySIDHNHXRHRVNBJ-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 9821545
(S)-1-(4-fluorobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11576852
(S)-1-(4-fluorobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11583840
(S)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11624920
(S)-1-(2-fluorobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11634372
3-[1-[4-(5-Fluoro-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085829
6-Fluoro-3-[1-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085876
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide (CID 4650478) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
The InChIKey is SIDHNHXRHRVNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-29-21-9-5-3-7-19(21)24-22(26)17-14-16(10-11-18(17)23)30(27,28)25-13-12-15-6-2-4-8-20(15)25/h2-11,14H,12-13H2,1H3,(H,24,26).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide has a molecular weight of 426.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 4650478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).