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

C15H17BrN2O4S — CID 17105146

IUPAC5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O4S/c1-10(2)9-17-23(20,21)12-5-3-11(4-6-12)18-15(19)13-7-8-14(16)22-13/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyCXRWHCLBZXCYSS-UHFFFAOYSA-N
MW401.28 g/mol
LogP3.23
Rot. Bonds6

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

5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 17105146) has the molecular formula C15H17BrN2O4S and a molecular weight of 401.28 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID17105146
Molecular FormulaC15H17BrN2O4S
Molecular Weight401.28 g/mol
Exact Mass400.01
IUPAC Name5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O4S/c1-10(2)9-17-23(20,21)12-5-3-11(4-6-12)18-15(19)13-7-8-14(16)22-13/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyCXRWHCLBZXCYSS-UHFFFAOYSA-N
XLogP3.23
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 53.23
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-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide (CID 17105146) is 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide is CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is CXRWHCLBZXCYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S/c1-10(2)9-17-23(20,21)12-5-3-11(4-6-12)18-15(19)13-7-8-14(16)22-13/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 401.28 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17105146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).