4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide

C19H20N2O3S — CID 174638278

IUPAC4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide
SMILESCN(CCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H20N2O3S/c1-21(14-13-15-7-9-17(10-8-15)25(20,22)23)19-12-11-18(24-19)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H2,20,22,23)
InChIKeyCRYFAEUBFGYQHW-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.27
Rot. Bonds6

About 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 174638278) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID174638278
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide
SMILESCN(CCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H20N2O3S/c1-21(14-13-15-7-9-17(10-8-15)25(20,22)23)19-12-11-18(24-19)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H2,20,22,23)
InChIKeyCRYFAEUBFGYQHW-UHFFFAOYSA-N
XLogP3.27
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide (CID 174638278) is 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide is CN(CCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is CRYFAEUBFGYQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-21(14-13-15-7-9-17(10-8-15)25(20,22)23)19-12-11-18(24-19)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H2,20,22,23).
What are the key properties of 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-(5-phenylfuran-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 174638278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).