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

C13H13BrN2O4S — CID 17070827

IUPAC5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C13H13BrN2O4S/c1-2-15-21(18,19)10-5-3-9(4-6-10)16-13(17)11-7-8-12(14)20-11/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyIIKKEWIMUQQYNC-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.59
Rot. Bonds5

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

5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 17070827) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID17070827
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C13H13BrN2O4S/c1-2-15-21(18,19)10-5-3-9(4-6-10)16-13(17)11-7-8-12(14)20-11/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyIIKKEWIMUQQYNC-UHFFFAOYSA-N
XLogP2.59
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
CID 17105146
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 993374
5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
CID 17146702
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide (CID 17070827) is 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is IIKKEWIMUQQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-2-15-21(18,19)10-5-3-9(4-6-10)16-13(17)11-7-8-12(14)20-11/h3-8,15H,2H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17070827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).