N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide

C19H16BrNO4S — CID 20859597

IUPACN-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C19H16BrNO4S/c20-15-6-9-17(10-7-15)26(23,24)13-16-8-11-18(25-16)19(22)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,22)
InChIKeyGNRNZJDXIMZHHP-UHFFFAOYSA-N
MW434.31 g/mol
LogP3.95
Rot. Bonds6

About N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide

N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859597) has the molecular formula C19H16BrNO4S and a molecular weight of 434.31 g/mol. Its IUPAC name is N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID20859597
Molecular FormulaC19H16BrNO4S
Molecular Weight434.31 g/mol
Exact Mass433.00
IUPAC NameN-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C19H16BrNO4S/c20-15-6-9-17(10-7-15)26(23,24)13-16-8-11-18(25-16)19(22)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,22)
InChIKeyGNRNZJDXIMZHHP-UHFFFAOYSA-N
XLogP3.95
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
CID 24509023
5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55660876
5-[(4-bromophenyl)sulfonylmethyl]-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]furan-2-carboxamide
CID 3312100
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide (CID 20859597) is N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide is O=C(NCc1ccccc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1.
What is the InChIKey of N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is GNRNZJDXIMZHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4S/c20-15-6-9-17(10-7-15)26(23,24)13-16-8-11-18(25-16)19(22)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,22).
What are the key properties of N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide?
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 434.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).