N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide

C16H15N3O3S — CID 137003041

IUPACN-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)/C(=N/c1ccccc1)C(=O)N2
InChIInChI=1S/C16H15N3O3S/c1-2-23(21,22)19-12-8-9-14-13(10-12)15(16(20)18-14)17-11-6-4-3-5-7-11/h3-10,19H,2H2,1H3,(H,17,18,20)
InChIKeyOVRCBMUWUYAXIM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.52
Rot. Bonds4

About N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide

N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide (PubChem CID 137003041) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide
PubChem CID137003041
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)/C(=N/c1ccccc1)C(=O)N2
InChIInChI=1S/C16H15N3O3S/c1-2-23(21,22)19-12-8-9-14-13(10-12)15(16(20)18-14)17-11-6-4-3-5-7-11/h3-10,19H,2H2,1H3,(H,17,18,20)
InChIKeyOVRCBMUWUYAXIM-UHFFFAOYSA-N
XLogP2.52
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
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-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide?
The IUPAC name of N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide (CID 137003041) is N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)/C(=N/c1ccccc1)C(=O)N2.
What is the InChIKey of N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide?
The InChIKey is OVRCBMUWUYAXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-23(21,22)19-12-8-9-14-13(10-12)15(16(20)18-14)17-11-6-4-3-5-7-11/h3-10,19H,2H2,1H3,(H,17,18,20).
What are the key properties of N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide?
N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide is sourced from PubChem (CID 137003041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).