5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide

C13H13BrN2O4S — CID 60646244

IUPAC5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(Br)o2)ccc1C
InChIInChI=1S/C13H13BrN2O4S/c1-8-3-4-9(7-11(8)21(18,19)15-2)16-13(17)10-5-6-12(14)20-10/h3-7,15H,1-2H3,(H,16,17)
InChIKeyUMHNYDQRECEAKD-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.51
Rot. Bonds4

About 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide

5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 60646244) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID60646244
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(Br)o2)ccc1C
InChIInChI=1S/C13H13BrN2O4S/c1-8-3-4-9(7-11(8)21(18,19)15-2)16-13(17)10-5-6-12(14)20-10/h3-7,15H,1-2H3,(H,16,17)
InChIKeyUMHNYDQRECEAKD-UHFFFAOYSA-N
XLogP2.51
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
CID 34186723
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9479404
N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
CID 60764727
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide (CID 60646244) is 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide is CNS(=O)(=O)c1cc(NC(=O)c2ccc(Br)o2)ccc1C.
What is the InChIKey of 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is UMHNYDQRECEAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-8-3-4-9(7-11(8)21(18,19)15-2)16-13(17)10-5-6-12(14)20-10/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 60646244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).