2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide

C13H13BrN2O4S — CID 106852841

IUPAC2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H13BrN2O4S/c1-16(2)21(18,19)10-5-3-4-9(8-10)15-13(17)11-6-7-20-12(11)14/h3-8H,1-2H3,(H,15,17)
InChIKeyPHPOPKDCDCRMBF-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.54
Rot. Bonds4

About 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide

2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide (PubChem CID 106852841) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
PubChem CID106852841
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H13BrN2O4S/c1-16(2)21(18,19)10-5-3-4-9(8-10)15-13(17)11-6-7-20-12(11)14/h3-8H,1-2H3,(H,15,17)
InChIKeyPHPOPKDCDCRMBF-UHFFFAOYSA-N
XLogP2.54
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
2-bromo-N-[3-(sulfamoylamino)phenyl]furan-3-carboxamide
CID 106853237
N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
CID 17457217
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
CID 9093791
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949623
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9299980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide (CID 106852841) is 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccoc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide?
The InChIKey is PHPOPKDCDCRMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-16(2)21(18,19)10-5-3-4-9(8-10)15-13(17)11-6-7-20-12(11)14/h3-8H,1-2H3,(H,15,17).
What are the key properties of 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide?
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106852841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).