N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C16H16Br2N2O4S — CID 55631341

IUPACN-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C16H16Br2N2O4S/c17-11-4-5-13(12(18)10-11)19-16(21)14-6-7-15(24-14)25(22,23)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H,19,21)
InChIKeyLUWDEBWAGGQFNF-UHFFFAOYSA-N
MW492.19 g/mol
LogP4.23
Rot. Bonds4

About N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55631341) has the molecular formula C16H16Br2N2O4S and a molecular weight of 492.19 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55631341
Molecular FormulaC16H16Br2N2O4S
Molecular Weight492.19 g/mol
Exact Mass489.92
IUPAC NameN-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C16H16Br2N2O4S/c17-11-4-5-13(12(18)10-11)19-16(21)14-6-7-15(24-14)25(22,23)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H,19,21)
InChIKeyLUWDEBWAGGQFNF-UHFFFAOYSA-N
XLogP4.23
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630676
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632664
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55660521
methyl 2-hydroxy-3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 56576104
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633494
3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
CID 75417895
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46461599
5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4878026
5-piperidin-1-ylsulfonyl-N-(2-propoxyphenyl)furan-2-carboxamide
CID 46411239

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55631341) is N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is O=C(Nc1ccc(Br)cc1Br)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is LUWDEBWAGGQFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O4S/c17-11-4-5-13(12(18)10-11)19-16(21)14-6-7-15(24-14)25(22,23)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H,19,21).
What are the key properties of N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 492.19 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55631341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).