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

C23H19N3O4S — CID 24993216

IUPAC4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccc(C#N)cc4)c32)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-19-9-11-20(12-10-19)31(28,29)26-14-13-17-3-2-4-21(22(17)26)25-23(27)18-7-5-16(15-24)6-8-18/h2-12H,13-14H2,1H3,(H,25,27)
InChIKeyHKYHNAOTXLLBKG-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.57
Rot. Bonds5

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

4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide (PubChem CID 24993216) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
PubChem CID24993216
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccc(C#N)cc4)c32)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-19-9-11-20(12-10-19)31(28,29)26-14-13-17-3-2-4-21(22(17)26)25-23(27)18-7-5-16(15-24)6-8-18/h2-12H,13-14H2,1H3,(H,25,27)
InChIKeyHKYHNAOTXLLBKG-UHFFFAOYSA-N
XLogP3.57
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993539
N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
CID 155565261
N-(2-aminophenyl)-4-[[[1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
CID 155525771
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide
CID 38748673
7-(furan-2-yl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 66757469
4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996083
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-2-nitrophenyl)benzamide
CID 4125363
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 4937060
4-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55719201
methyl 3-[(4-cyanobenzoyl)amino]-2-methoxybenzoate
CID 90119614
N-[[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 17091998

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The IUPAC name of 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide (CID 24993216) is 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The canonical SMILES for 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccc(C#N)cc4)c32)cc1.
What is the InChIKey of 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The InChIKey is HKYHNAOTXLLBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-30-19-9-11-20(12-10-19)31(28,29)26-14-13-17-3-2-4-21(22(17)26)25-23(27)18-7-5-16(15-24)6-8-18/h2-12H,13-14H2,1H3,(H,25,27).
What are the key properties of 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide is sourced from PubChem (CID 24993216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).