6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H13BrN2O4S — CID 83229209

IUPAC6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NC3CC(O)C3)c(Br)cc2N1
InChIInChI=1S/C12H13BrN2O4S/c13-9-5-10-6(2-12(17)14-10)1-11(9)20(18,19)15-7-3-8(16)4-7/h1,5,7-8,15-16H,2-4H2,(H,14,17)
InChIKeyXNKBSTRQGAUUAY-UHFFFAOYSA-N
MW361.22 g/mol
LogP0.75
Rot. Bonds3

About 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 83229209) has the molecular formula C12H13BrN2O4S and a molecular weight of 361.22 g/mol. Its IUPAC name is 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID83229209
Molecular FormulaC12H13BrN2O4S
Molecular Weight361.22 g/mol
Exact Mass359.98
IUPAC Name6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NC3CC(O)C3)c(Br)cc2N1
InChIInChI=1S/C12H13BrN2O4S/c13-9-5-10-6(2-12(17)14-10)1-11(9)20(18,19)15-7-3-8(16)4-7/h1,5,7-8,15-16H,2-4H2,(H,14,17)
InChIKeyXNKBSTRQGAUUAY-UHFFFAOYSA-N
XLogP0.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-oxo-N-[(3R)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104645670
6-bromo-5-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 83231272
6-bromo-N-ethoxy-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225473
6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83228406
6-bromo-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 83231292
6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225601
N-[(1-aminocyclobutyl)methyl]-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103352902
6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231282
6-chloro-2-oxo-N-[(3R)-pyrrolidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 79684934
2-[(6-bromo-2-oxo-1,3-dihydroindol-5-yl)sulfonyl-methylamino]propanoic acid
CID 83226385
6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104982613
6-bromo-N-methyl-N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231451

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 83229209) is 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NC3CC(O)C3)c(Br)cc2N1.
What is the InChIKey of 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is XNKBSTRQGAUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4S/c13-9-5-10-6(2-12(17)14-10)1-11(9)20(18,19)15-7-3-8(16)4-7/h1,5,7-8,15-16H,2-4H2,(H,14,17).
What are the key properties of 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-hydroxycyclobutyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 83229209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).