2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide

C13H12BrNO4S — CID 106853117

IUPAC2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H12BrNO4S/c1-2-20(17,18)10-5-3-9(4-6-10)15-13(16)11-7-8-19-12(11)14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyYKAKVPZYUHHNOR-UHFFFAOYSA-N
MW358.21 g/mol
LogP3.09
Rot. Bonds4

About 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide

2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide (PubChem CID 106853117) has the molecular formula C13H12BrNO4S and a molecular weight of 358.21 g/mol. Its IUPAC name is 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
PubChem CID106853117
Molecular FormulaC13H12BrNO4S
Molecular Weight358.21 g/mol
Exact Mass356.97
IUPAC Name2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H12BrNO4S/c1-2-20(17,18)10-5-3-9(4-6-10)15-13(16)11-7-8-19-12(11)14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyYKAKVPZYUHHNOR-UHFFFAOYSA-N
XLogP3.09
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 39862739
N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
CID 106852888
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998428
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide
CID 106853025

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide (CID 106853117) is 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2ccoc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide?
The InChIKey is YKAKVPZYUHHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO4S/c1-2-20(17,18)10-5-3-9(4-6-10)15-13(16)11-7-8-19-12(11)14/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide?
2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide has a molecular weight of 358.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106853117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).