5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid

C10H11BrN2O7S — CID 83096729

IUPAC5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
SMILESNC(=O)C1COCCN1S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H11BrN2O7S/c11-8-7(3-6(20-8)10(15)16)21(17,18)13-1-2-19-4-5(13)9(12)14/h3,5H,1-2,4H2,(H2,12,14)(H,15,16)
InChIKeyVETXBUPCEPCNDD-UHFFFAOYSA-N
MW383.18 g/mol
LogP-0.38
Rot. Bonds4

About 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid

5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid (PubChem CID 83096729) has the molecular formula C10H11BrN2O7S and a molecular weight of 383.18 g/mol. Its IUPAC name is 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
PubChem CID83096729
Molecular FormulaC10H11BrN2O7S
Molecular Weight383.18 g/mol
Exact Mass381.95
IUPAC Name5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
SMILESNC(=O)C1COCCN1S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H11BrN2O7S/c11-8-7(3-6(20-8)10(15)16)21(17,18)13-1-2-19-4-5(13)9(12)14/h3,5H,1-2,4H2,(H2,12,14)(H,15,16)
InChIKeyVETXBUPCEPCNDD-UHFFFAOYSA-N
XLogP-0.38
TPSA140.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83092795
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83098970
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 83101664
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-5-bromofuran-2-carboxylic acid
CID 65319120
4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83094650
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
5-bromo-4-(3,3-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 62828667
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]morpholine-3-carboxamide
CID 106594820
5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 62804157
4-(3-amino-1-propylpyrazol-4-yl)sulfonylmorpholine-3-carboxamide
CID 83093925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid (CID 83096729) is 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid is NC(=O)C1COCCN1S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
The InChIKey is VETXBUPCEPCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O7S/c11-8-7(3-6(20-8)10(15)16)21(17,18)13-1-2-19-4-5(13)9(12)14/h3,5H,1-2,4H2,(H2,12,14)(H,15,16).
What are the key properties of 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid?
5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid has a molecular weight of 383.18 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 83096729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).