4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide

C15H13N3O3S — CID 91144325

IUPAC4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)/b17-9+
InChIKeyPXXATINACSBDQQ-RQZCQDPDSA-N
MW315.35 g/mol
LogP1.77
Rot. Bonds3

About 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide

4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 91144325) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID91144325
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)/b17-9+
InChIKeyPXXATINACSBDQQ-RQZCQDPDSA-N
XLogP1.77
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-[2-(dimethylamino)ethyl]-4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide
CID 91895650
5-(Azepan-1-ylsulfonyl)-3-methyl-1,3-dihydroindol-2-one
CID 16310991
1,3,3-Trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 22518795
N-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]propanamide
CID 788728
1,3-Dihydro-5-(1-piperazinylsulfonyl)-2H-indol-2-one
CID 4962779
4-{[1-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)ethyl]-amino}benzenesulfonamide
CID 91895630
4-{[1-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-ethyl]amino}benzenesulfonamide
CID 91895631
4-({[5-(Dimethylamino)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}amino)benzenesulfonamide
CID 91895633

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (CID 91144325) is 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is PXXATINACSBDQQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)/b17-9+.
What are the key properties of 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 91144325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).