4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide

C11H12BrFN2O4S — CID 83092795

IUPAC4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
SMILESNC(=O)C1COCCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFN2O4S/c12-8-5-7(13)1-2-10(8)20(17,18)15-3-4-19-6-9(15)11(14)16/h1-2,5,9H,3-4,6H2,(H2,14,16)
InChIKeyDJJGXUJUPOJPGW-UHFFFAOYSA-N
MW367.20 g/mol
LogP0.46
Rot. Bonds3

About 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide

4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 83092795) has the molecular formula C11H12BrFN2O4S and a molecular weight of 367.20 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
PubChem CID83092795
Molecular FormulaC11H12BrFN2O4S
Molecular Weight367.20 g/mol
Exact Mass365.97
IUPAC Name4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
SMILESNC(=O)C1COCCN1S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFN2O4S/c12-8-5-7(13)1-2-10(8)20(17,18)15-3-4-19-6-9(15)11(14)16/h1-2,5,9H,3-4,6H2,(H2,14,16)
InChIKeyDJJGXUJUPOJPGW-UHFFFAOYSA-N
XLogP0.46
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83098970
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
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
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]morpholine-3-carboxamide
CID 106594820
(4R)-3-(2-bromo-4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142205
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 83101664
[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286067
4-(3-amino-1-propylpyrazol-4-yl)sulfonylmorpholine-3-carboxamide
CID 83093925

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide (CID 83092795) is 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide is NC(=O)C1COCCN1S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is DJJGXUJUPOJPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O4S/c12-8-5-7(13)1-2-10(8)20(17,18)15-3-4-19-6-9(15)11(14)16/h1-2,5,9H,3-4,6H2,(H2,14,16).
What are the key properties of 4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide?
4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 0.46, 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-fluorophenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 83092795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).