N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide

C18H18N2O5S — CID 647012

IUPACN-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O5S/c1-2-26(24,25)20-13-9-7-12(8-10-13)16(21)11-18(23)14-5-3-4-6-15(14)19-17(18)22/h3-10,20,23H,2,11H2,1H3,(H,19,22)
InChIKeyXWYLSWHLAGOSQI-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.86
Rot. Bonds6

About N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide

N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide (PubChem CID 647012) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide
PubChem CID647012
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O5S/c1-2-26(24,25)20-13-9-7-12(8-10-13)16(21)11-18(23)14-5-3-4-6-15(14)19-17(18)22/h3-10,20,23H,2,11H2,1H3,(H,19,22)
InChIKeyXWYLSWHLAGOSQI-UHFFFAOYSA-N
XLogP1.86
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide 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-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide (CID 647012) is N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
The InChIKey is XWYLSWHLAGOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-2-26(24,25)20-13-9-7-12(8-10-13)16(21)11-18(23)14-5-3-4-6-15(14)19-17(18)22/h3-10,20,23H,2,11H2,1H3,(H,19,22).
What are the key properties of N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 647012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).