4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide

C17H18N4O3S — CID 91895633

IUPAC4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
SMILESCN(C)c1ccc2c(c1)C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2
InChIInChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)/b19-10+
InChIKeyTXLJLSPOWMHKKU-VXLYETTFSA-N
MW358.42 g/mol
LogP1.84
Rot. Bonds4

About 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide

4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide (PubChem CID 91895633) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
PubChem CID91895633
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
SMILESCN(C)c1ccc2c(c1)C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2
InChIInChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)/b19-10+
InChIKeyTXLJLSPOWMHKKU-VXLYETTFSA-N
XLogP1.84
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.84
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 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide (CID 91895633) is 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide is CN(C)c1ccc2c(c1)C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2.
What is the InChIKey of 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The InChIKey is TXLJLSPOWMHKKU-VXLYETTFSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)/b19-10+.
What are the key properties of 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 91895633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).