2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide

C24H20N4O5S — CID 154926578

IUPAC2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1C)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C24H20N4O5S/c1-16-8-3-4-11-20(16)24(29)26-25-17(2)22-15-27(23-13-6-5-12-21(22)23)34(32,33)19-10-7-9-18(14-19)28(30)31/h3-15H,1-2H3,(H,26,29)/b25-17+
InChIKeyFTONDVQFGIYJLA-KOEQRZSOSA-N
MW476.51 g/mol
LogP4.25
Rot. Bonds6

About 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide

2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide (PubChem CID 154926578) has the molecular formula C24H20N4O5S and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
PubChem CID154926578
Molecular FormulaC24H20N4O5S
Molecular Weight476.51 g/mol
Exact Mass476.12
IUPAC Name2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1C)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C24H20N4O5S/c1-16-8-3-4-11-20(16)24(29)26-25-17(2)22-15-27(23-13-6-5-12-21(22)23)34(32,33)19-10-7-9-18(14-19)28(30)31/h3-15H,1-2H3,(H,26,29)/b25-17+
InChIKeyFTONDVQFGIYJLA-KOEQRZSOSA-N
XLogP4.25
TPSA123.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
CID 146000657
N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N-methyl-1-(3-nitrophenyl)sulfonylindole-3-carboxamide
CID 162648076
[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-(3-nitrophenyl)methanone
CID 139773353
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 4552402
[1-(benzenesulfonyl)-5-nitroindol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10387856
2-[1-[1-(2-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 85088396
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
CID 75459911
3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 6162171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide (CID 154926578) is 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1C)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12.
What is the InChIKey of 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
The InChIKey is FTONDVQFGIYJLA-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H20N4O5S/c1-16-8-3-4-11-20(16)24(29)26-25-17(2)22-15-27(23-13-6-5-12-21(22)23)34(32,33)19-10-7-9-18(14-19)28(30)31/h3-15H,1-2H3,(H,26,29)/b25-17+.
What are the key properties of 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide has a molecular weight of 476.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide is sourced from PubChem (CID 154926578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).