4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide

C11H11BrF2N2O4S — CID 83098970

IUPAC4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
SMILESNC(=O)C1COCCN1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2N2O4S/c12-7-3-6(13)4-8(14)10(7)21(18,19)16-1-2-20-5-9(16)11(15)17/h3-4,9H,1-2,5H2,(H2,15,17)
InChIKeyCTEOBRYSAUOWJM-UHFFFAOYSA-N
MW385.19 g/mol
LogP0.60
Rot. Bonds3

About 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide

4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 83098970) has the molecular formula C11H11BrF2N2O4S and a molecular weight of 385.19 g/mol. Its IUPAC name is 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
PubChem CID83098970
Molecular FormulaC11H11BrF2N2O4S
Molecular Weight385.19 g/mol
Exact Mass383.96
IUPAC Name4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
SMILESNC(=O)C1COCCN1S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2N2O4S/c12-7-3-6(13)4-8(14)10(7)21(18,19)16-1-2-20-5-9(16)11(15)17/h3-4,9H,1-2,5H2,(H2,15,17)
InChIKeyCTEOBRYSAUOWJM-UHFFFAOYSA-N
XLogP0.60
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83092795
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83094650
5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 83096729
methyl 1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409886
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 83101664
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine
CID 54917710
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 63846387
[1-(2-bromo-4,6-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786095

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide (CID 83098970) is 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide is NC(=O)C1COCCN1S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is CTEOBRYSAUOWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O4S/c12-7-3-6(13)4-8(14)10(7)21(18,19)16-1-2-20-5-9(16)11(15)17/h3-4,9H,1-2,5H2,(H2,15,17).
What are the key properties of 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide?
4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 385.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 83098970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).