2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide

C15H15BrN2O4S — CID 9401625

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C15H15BrN2O4S/c16-14-6-5-12(23(20,21)18-10-3-4-10)8-13(14)15(19)17-9-11-2-1-7-22-11/h1-2,5-8,10,18H,3-4,9H2,(H,17,19)
InChIKeyJYVRASXLNCLXOB-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.41
Rot. Bonds6

About 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 9401625) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID9401625
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C15H15BrN2O4S/c16-14-6-5-12(23(20,21)18-10-3-4-10)8-13(14)15(19)17-9-11-2-1-7-22-11/h1-2,5-8,10,18H,3-4,9H2,(H,17,19)
InChIKeyJYVRASXLNCLXOB-UHFFFAOYSA-N
XLogP2.41
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527
2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide
CID 30549771
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-bromo-5-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 26444801
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 17484041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide (CID 9401625) is 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is JYVRASXLNCLXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c16-14-6-5-12(23(20,21)18-10-3-4-10)8-13(14)15(19)17-9-11-2-1-7-22-11/h1-2,5-8,10,18H,3-4,9H2,(H,17,19).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 399.27 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 9401625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).