N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C10H12N2O4S — CID 39358060

IUPACN-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCO)ccc2N1
InChIInChI=1S/C10H12N2O4S/c13-4-3-11-17(15,16)8-1-2-9-7(5-8)6-10(14)12-9/h1-2,5,11,13H,3-4,6H2,(H,12,14)
InChIKeyVETVSUQRVPAFDR-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.55
Rot. Bonds4

About N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 39358060) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID39358060
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC NameN-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCO)ccc2N1
InChIInChI=1S/C10H12N2O4S/c13-4-3-11-17(15,16)8-1-2-9-7(5-8)6-10(14)12-9/h1-2,5,11,13H,3-4,6H2,(H,12,14)
InChIKeyVETVSUQRVPAFDR-UHFFFAOYSA-N
XLogP-0.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 39358060) is N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCCO)ccc2N1.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is VETVSUQRVPAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-4-3-11-17(15,16)8-1-2-9-7(5-8)6-10(14)12-9/h1-2,5,11,13H,3-4,6H2,(H,12,14).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 256.28 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 39358060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).