6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H15BrN2O4S — CID 83228406

IUPAC6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C12H15BrN2O4S/c1-7(2-3-16)15-20(18,19)11-4-8-5-12(17)14-10(8)6-9(11)13/h4,6-7,15-16H,2-3,5H2,1H3,(H,14,17)
InChIKeyNSMYLJSLBBRVIY-UHFFFAOYSA-N
MW363.23 g/mol
LogP0.99
Rot. Bonds5

About 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 83228406) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID83228406
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C12H15BrN2O4S/c1-7(2-3-16)15-20(18,19)11-4-8-5-12(17)14-10(8)6-9(11)13/h4,6-7,15-16H,2-3,5H2,1H3,(H,14,17)
InChIKeyNSMYLJSLBBRVIY-UHFFFAOYSA-N
XLogP0.99
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
CID 83224912
6-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 105649307
6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 106170285
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 106170365
N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384074
6-bromo-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl fluoride
CID 165453546
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 39358060
6-bromo-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
CID 54595979
6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 58484266
6-Bromo-2-oxo-1,3-dihydroindole-5-sulfinyl chloride
CID 143933032
(3R)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188760

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 83228406) is 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(CCO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is NSMYLJSLBBRVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-7(2-3-16)15-20(18,19)11-4-8-5-12(17)14-10(8)6-9(11)13/h4,6-7,15-16H,2-3,5H2,1H3,(H,14,17).
What are the key properties of 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 363.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 83228406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).