6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C10H11BrN2O3S — CID 58484266

IUPAC6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C10H11BrN2O3S/c1-13(2)17(15,16)9-3-6-4-10(14)12-8(6)5-7(9)11/h3,5H,4H2,1-2H3,(H,12,14)
InChIKeyVTPULAGSDZEQDZ-UHFFFAOYSA-N
MW319.18 g/mol
LogP1.19
Rot. Bonds2

About 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide

6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 58484266) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID58484266
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C10H11BrN2O3S/c1-13(2)17(15,16)9-3-6-4-10(14)12-8(6)5-7(9)11/h3,5H,4H2,1-2H3,(H,12,14)
InChIKeyVTPULAGSDZEQDZ-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 58484266) is 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is VTPULAGSDZEQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-13(2)17(15,16)9-3-6-4-10(14)12-8(6)5-7(9)11/h3,5H,4H2,1-2H3,(H,12,14).
What are the key properties of 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 319.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 58484266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).