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

C16H15N3O3S — CID 91895649

IUPACN-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14,17H,1H3,(H,19,20)/b18-10+
InChIKeyXTPZAFMBWDNWIW-VCHYOVAHSA-N
MW329.38 g/mol
LogP2.03
Rot. Bonds4

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

N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 91895649) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID91895649
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14,17H,1H3,(H,19,20)/b18-10+
InChIKeyXTPZAFMBWDNWIW-VCHYOVAHSA-N
XLogP2.03
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (CID 91895649) is N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is XTPZAFMBWDNWIW-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14,17H,1H3,(H,19,20)/b18-10+.
What are the key properties of N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 91895649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).