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

C20H23N3O5S — CID 90829815

IUPACN,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCc1cccc2c1C(/C=N/c1cccc(S(=O)(=O)N(CCO)CCO)c1)C(=O)N2
InChIInChI=1S/C20H23N3O5S/c1-14-4-2-7-18-19(14)17(20(26)22-18)13-21-15-5-3-6-16(12-15)29(27,28)23(8-10-24)9-11-25/h2-7,12-13,17,24-25H,8-11H2,1H3,(H,22,26)/b21-13+
InChIKeyJQLLSMCGMXNDPF-FYJGNVAPSA-N
MW417.49 g/mol
LogP1.41
Rot. Bonds8

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

N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 90829815) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID90829815
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCc1cccc2c1C(/C=N/c1cccc(S(=O)(=O)N(CCO)CCO)c1)C(=O)N2
InChIInChI=1S/C20H23N3O5S/c1-14-4-2-7-18-19(14)17(20(26)22-18)13-21-15-5-3-6-16(12-15)29(27,28)23(8-10-24)9-11-25/h2-7,12-13,17,24-25H,8-11H2,1H3,(H,22,26)/b21-13+
InChIKeyJQLLSMCGMXNDPF-FYJGNVAPSA-N
XLogP1.41
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide (CID 90829815) is N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is Cc1cccc2c1C(/C=N/c1cccc(S(=O)(=O)N(CCO)CCO)c1)C(=O)N2.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is JQLLSMCGMXNDPF-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-4-2-7-18-19(14)17(20(26)22-18)13-21-15-5-3-6-16(12-15)29(27,28)23(8-10-24)9-11-25/h2-7,12-13,17,24-25H,8-11H2,1H3,(H,22,26)/b21-13+.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide?
N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 90829815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).