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

C11H11BrF2N2O4S — CID 106170285

IUPAC6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(F)(F)CO)c(Br)cc2N1
InChIInChI=1S/C11H11BrF2N2O4S/c12-7-3-8-6(2-10(18)16-8)1-9(7)21(19,20)15-4-11(13,14)5-17/h1,3,15,17H,2,4-5H2,(H,16,18)
InChIKeyOBZPXKARUOYCMO-UHFFFAOYSA-N
MW385.19 g/mol
LogP0.85
Rot. Bonds5

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

6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 106170285) has the molecular formula C11H11BrF2N2O4S and a molecular weight of 385.19 g/mol. Its IUPAC name is 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID106170285
Molecular FormulaC11H11BrF2N2O4S
Molecular Weight385.19 g/mol
Exact Mass383.96
IUPAC Name6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(F)(F)CO)c(Br)cc2N1
InChIInChI=1S/C11H11BrF2N2O4S/c12-7-3-8-6(2-10(18)16-8)1-9(7)21(19,20)15-4-11(13,14)5-17/h1,3,15,17H,2,4-5H2,(H,16,18)
InChIKeyOBZPXKARUOYCMO-UHFFFAOYSA-N
XLogP0.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-oxo-N-(2,2,2-trifluoroethoxy)-1,3-dihydroindole-5-sulfonamide
CID 83224912
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 104858763
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroindole-5-sulfonamide
CID 105649289
6-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 105649307
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 105649320
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 106170259
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 106170365
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 107483588
N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384074
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 146147662
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 106170285) is 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCC(F)(F)CO)c(Br)cc2N1.
What is the InChIKey of 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is OBZPXKARUOYCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O4S/c12-7-3-8-6(2-10(18)16-8)1-9(7)21(19,20)15-4-11(13,14)5-17/h1,3,15,17H,2,4-5H2,(H,16,18).
What are the key properties of 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 385.19 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 106170285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).