4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide

C15H13N3O3S — CID 3160258

IUPAC4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,18-19H,(H2,16,20,21)/b17-9+
InChIKeyNCJKZPXFXOMPSP-RQZCQDPDSA-N
MW315.35 g/mol
LogP2.27
Rot. Bonds3

About 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide

4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 3160258) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID3160258
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,18-19H,(H2,16,20,21)/b17-9+
InChIKeyNCJKZPXFXOMPSP-RQZCQDPDSA-N
XLogP2.27
TPSA108.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
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 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide (CID 3160258) is 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is NCJKZPXFXOMPSP-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,18-19H,(H2,16,20,21)/b17-9+.
What are the key properties of 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3160258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).