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

C22H19N3O6S — CID 24993215

IUPACN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c32)cc1
InChIInChI=1S/C22H19N3O6S/c1-31-18-9-11-19(12-10-18)32(29,30)24-14-13-15-3-2-4-20(21(15)24)23-22(26)16-5-7-17(8-6-16)25(27)28/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyKPDKBFXZOBZXDL-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.61
Rot. Bonds6

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

N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide (PubChem CID 24993215) has the molecular formula C22H19N3O6S and a molecular weight of 453.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide
PubChem CID24993215
Molecular FormulaC22H19N3O6S
Molecular Weight453.48 g/mol
Exact Mass453.10
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c32)cc1
InChIInChI=1S/C22H19N3O6S/c1-31-18-9-11-19(12-10-18)32(29,30)24-14-13-15-3-2-4-20(21(15)24)23-22(26)16-5-7-17(8-6-16)25(27)28/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyKPDKBFXZOBZXDL-UHFFFAOYSA-N
XLogP3.61
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzenesulfonamide
CID 24993538
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-nitro-benzamide
CID 21310778
Methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate
CID 24993218
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-dimethylamino-N-hydroxy-benzamide
CID 44316334
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993217
4-({N-(4-methoxyphenyl)-N-[(4-methyl-3-nitrophenyl)sulfonyl]glycyl}amino)benzamide
CID 2898832
N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 5195263

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide (CID 24993215) is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide?
The InChIKey is KPDKBFXZOBZXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6S/c1-31-18-9-11-19(12-10-18)32(29,30)24-14-13-15-3-2-4-20(21(15)24)23-22(26)16-5-7-17(8-6-16)25(27)28/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide?
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide has a molecular weight of 453.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide is sourced from PubChem (CID 24993215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).