(3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide

C8H8N2O4S — CID 169452756

IUPAC(3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)[C@H](O)C(=O)N2
InChIInChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1
InChIKeyKJMQFACDQCJBET-ZETCQYMHSA-N
MW228.23 g/mol
LogP-0.68
Rot. Bonds1

About (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide

(3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 169452756) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID169452756
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name(3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)[C@H](O)C(=O)N2
InChIInChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1
InChIKeyKJMQFACDQCJBET-ZETCQYMHSA-N
XLogP-0.68
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 169452756) is (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)[C@H](O)C(=O)N2.
What is the InChIKey of (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is KJMQFACDQCJBET-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 228.23 g/mol, XLogP of -0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 169452756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).