N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide

C24H21N3O3S — CID 146000657

IUPACN-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C24H21N3O3S/c1-17-12-14-20(15-13-17)31(29,30)27-16-22(21-10-6-7-11-23(21)27)18(2)25-26-24(28)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,26,28)/b25-18+
InChIKeyZISBCIFSUZYMHM-XIEYBQDHSA-N
MW431.52 g/mol
LogP4.34
Rot. Bonds5

About N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide

N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide (PubChem CID 146000657) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
PubChem CID146000657
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C24H21N3O3S/c1-17-12-14-20(15-13-17)31(29,30)27-16-22(21-10-6-7-11-23(21)27)18(2)25-26-24(28)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,26,28)/b25-18+
InChIKeyZISBCIFSUZYMHM-XIEYBQDHSA-N
XLogP4.34
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
2-methyl-N-[(E)-1-[1-(3-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
CID 154926578
1-(benzenesulfonyl)indole-3-carboxylate
CID 6932015
4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 58975029
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
(2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxo-4-phenylbutanenitrile
CID 162417672
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720
1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-2-en-1-one
CID 14061753
methyl (2R,3S)-2,3-dihydroxy-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate
CID 11153480
1-[1-(benzenesulfonyl)indol-3-yl]-2,2-dibromoethanone
CID 165354789
3-[(1E,3E)-3-methylpenta-1,3-dienyl]-1-(4-methylphenyl)sulfonylindole
CID 102180391
N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 139220768

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide (CID 146000657) is N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
The InChIKey is ZISBCIFSUZYMHM-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-17-12-14-20(15-13-17)31(29,30)27-16-22(21-10-6-7-11-23(21)27)18(2)25-26-24(28)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,26,28)/b25-18+.
What are the key properties of N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide?
N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide has a molecular weight of 431.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide is sourced from PubChem (CID 146000657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).