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

C12H11BrN2O4S — CID 2989629

IUPAC5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C12H11BrN2O4S/c1-14-20(17,18)9-4-2-8(3-5-9)15-12(16)10-6-7-11(13)19-10/h2-7,14H,1H3,(H,15,16)
InChIKeyJUWREZXJRQMQOT-UHFFFAOYSA-N
MW359.20 g/mol
LogP2.20
Rot. Bonds4

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

5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 2989629) has the molecular formula C12H11BrN2O4S and a molecular weight of 359.20 g/mol. Its IUPAC name is 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID2989629
Molecular FormulaC12H11BrN2O4S
Molecular Weight359.20 g/mol
Exact Mass357.96
IUPAC Name5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C12H11BrN2O4S/c1-14-20(17,18)9-4-2-8(3-5-9)15-12(16)10-6-7-11(13)19-10/h2-7,14H,1H3,(H,15,16)
InChIKeyJUWREZXJRQMQOT-UHFFFAOYSA-N
XLogP2.20
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
CID 17105146
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
5-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 9429381
5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 126756539
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide (CID 2989629) is 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is JUWREZXJRQMQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4S/c1-14-20(17,18)9-4-2-8(3-5-9)15-12(16)10-6-7-11(13)19-10/h2-7,14H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 359.20 g/mol, XLogP of 2.20, 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-(methylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2989629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).