N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

C19H17BrN2O4S — CID 24639566

IUPACN-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1Br
InChIInChI=1S/C19H17BrN2O4S/c1-13-10-15(7-8-18(13)20)22-19(23)14-4-2-6-17(11-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyAQWUEVHWLBTXIP-UHFFFAOYSA-N
MW449.33 g/mol
LogP4.08
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24639566) has the molecular formula C19H17BrN2O4S and a molecular weight of 449.33 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID24639566
Molecular FormulaC19H17BrN2O4S
Molecular Weight449.33 g/mol
Exact Mass448.01
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1Br
InChIInChI=1S/C19H17BrN2O4S/c1-13-10-15(7-8-18(13)20)22-19(23)14-4-2-6-17(11-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyAQWUEVHWLBTXIP-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

N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 35143678
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
CID 17170986
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (CID 24639566) is N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is AQWUEVHWLBTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4S/c1-13-10-15(7-8-18(13)20)22-19(23)14-4-2-6-17(11-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide 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 N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24639566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).