N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide

C16H15N3O3S — CID 135418262

IUPACN-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)19-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)20/h2-10,18-20H,1H3/b17-10+
InChIKeyZYYJEUHZKGIYQJ-LICLKQGHSA-N
MW329.38 g/mol
LogP3.00
Rot. Bonds4

About N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide

N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide (PubChem CID 135418262) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide
PubChem CID135418262
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)19-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)20/h2-10,18-20H,1H3/b17-10+
InChIKeyZYYJEUHZKGIYQJ-LICLKQGHSA-N
XLogP3.00
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.00
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 N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide (CID 135418262) is N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide?
The InChIKey is ZYYJEUHZKGIYQJ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-23(21,22)19-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)20/h2-10,18-20H,1H3/b17-10+.
What are the key properties of N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide?
N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]methanesulfonamide is sourced from PubChem (CID 135418262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).