4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide

C16H15N3O4S — CID 56991531

IUPAC4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3cc(CO)ccc32)cc1
InChIInChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)/b18-8+
InChIKeyLDTVCPBBOXODRG-QGMBQPNBSA-N
MW345.38 g/mol
LogP1.26
Rot. Bonds4

About 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide

4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide (PubChem CID 56991531) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
PubChem CID56991531
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3cc(CO)ccc32)cc1
InChIInChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)/b18-8+
InChIKeyLDTVCPBBOXODRG-QGMBQPNBSA-N
XLogP1.26
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
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-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide (CID 56991531) is 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3cc(CO)ccc32)cc1.
What is the InChIKey of 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
The InChIKey is LDTVCPBBOXODRG-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)/b18-8+.
What are the key properties of 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide?
4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 56991531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).