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

C19H22N4O3S — CID 91895650

IUPACN-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)/b20-13+
InChIKeyLCRTXDJHXKNNDU-DEDYPNTBSA-N
MW386.48 g/mol
LogP1.96
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 91895650) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID91895650
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)/b20-13+
InChIKeyLCRTXDJHXKNNDU-DEDYPNTBSA-N
XLogP1.96
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (CID 91895650) is N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is LCRTXDJHXKNNDU-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)/b20-13+.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 91895650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).