N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C13H18N2O4S — CID 39419252

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O4S/c1-8(2)12(7-16)15-20(18,19)10-3-4-11-9(5-10)6-13(17)14-11/h3-5,8,12,15-16H,6-7H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyOYQZKRYCUWWDRG-GFCCVEGCSA-N
MW298.36 g/mol
LogP0.48
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 39419252) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID39419252
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O4S/c1-8(2)12(7-16)15-20(18,19)10-3-4-11-9(5-10)6-13(17)14-11/h3-5,8,12,15-16H,6-7H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyOYQZKRYCUWWDRG-GFCCVEGCSA-N
XLogP0.48
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 81086190
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 112507154
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
N-[3-(hydroxymethyl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9067979
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
CID 116857239
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 39419252) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(C)[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is OYQZKRYCUWWDRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8(2)12(7-16)15-20(18,19)10-3-4-11-9(5-10)6-13(17)14-11/h3-5,8,12,15-16H,6-7H2,1-2H3,(H,14,17)/t12-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 39419252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).