3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide

C19H17BrN2O4S — CID 17170937

IUPAC3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br
InChIInChI=1S/C19H17BrN2O4S/c1-13-4-5-14(11-18(13)20)19(23)22-15-6-8-17(9-7-15)27(24,25)21-12-16-3-2-10-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyJULCRTBZEOVERY-UHFFFAOYSA-N
MW449.33 g/mol
LogP4.08
Rot. Bonds6

About 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide

3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide (PubChem CID 17170937) has the molecular formula C19H17BrN2O4S and a molecular weight of 449.33 g/mol. Its IUPAC name is 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
PubChem CID17170937
Molecular FormulaC19H17BrN2O4S
Molecular Weight449.33 g/mol
Exact Mass448.01
IUPAC Name3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br
InChIInChI=1S/C19H17BrN2O4S/c1-13-4-5-14(11-18(13)20)19(23)22-15-6-8-17(9-7-15)27(24,25)21-12-16-3-2-10-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyJULCRTBZEOVERY-UHFFFAOYSA-N
XLogP4.08
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
CID 17170986
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 5147041
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
CID 4849467
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide (CID 17170937) is 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide?
The InChIKey is JULCRTBZEOVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4S/c1-13-4-5-14(11-18(13)20)19(23)22-15-6-8-17(9-7-15)27(24,25)21-12-16-3-2-10-26-16/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide?
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide has a molecular weight of 449.33 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 17170937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).