4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide

C15H12Br2N2O6S — CID 126737148

IUPAC4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1cc(Br)c(Br)o1
InChIInChI=1S/C15H12Br2N2O6S/c16-10-7-12(25-13(10)17)14(20)18-8-1-3-9(4-2-8)26(22,23)19-11-5-6-24-15(11)21/h1-4,7,11,19H,5-6H2,(H,18,20)/t11-/m0/s1
InChIKeyAYIVEUCPJRYJHN-NSHDSACASA-N
MW508.14 g/mol
LogP2.65
Rot. Bonds5

About 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide

4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide (PubChem CID 126737148) has the molecular formula C15H12Br2N2O6S and a molecular weight of 508.14 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide
PubChem CID126737148
Molecular FormulaC15H12Br2N2O6S
Molecular Weight508.14 g/mol
Exact Mass505.88
IUPAC Name4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1cc(Br)c(Br)o1
InChIInChI=1S/C15H12Br2N2O6S/c16-10-7-12(25-13(10)17)14(20)18-8-1-3-9(4-2-8)26(22,23)19-11-5-6-24-15(11)21/h1-4,7,11,19H,5-6H2,(H,18,20)/t11-/m0/s1
InChIKeyAYIVEUCPJRYJHN-NSHDSACASA-N
XLogP2.65
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.14
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 126756539
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318533
4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 135183680
2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
CID 135149146
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]heptanamide
CID 78318340
4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 129065761
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 43822806
N-[4-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)sulfamoyl]phenyl]acetamide
CID 108781692
methyl 3-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]benzoate
CID 47066852

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide (CID 126737148) is 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1cc(Br)c(Br)o1.
What is the InChIKey of 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide?
The InChIKey is AYIVEUCPJRYJHN-NSHDSACASA-N. The full InChI is InChI=1S/C15H12Br2N2O6S/c16-10-7-12(25-13(10)17)14(20)18-8-1-3-9(4-2-8)26(22,23)19-11-5-6-24-15(11)21/h1-4,7,11,19H,5-6H2,(H,18,20)/t11-/m0/s1.
What are the key properties of 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide?
4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide has a molecular weight of 508.14 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 126737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).