4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide

C19H17NO4S — CID 51307345

IUPAC4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4S/c1-15(21)16-9-11-19(12-10-16)25(22,23)20(14-18-8-5-13-24-18)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKeyVWHLVCBAPYPOFH-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.88
Rot. Bonds6

About 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide

4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide (PubChem CID 51307345) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
PubChem CID51307345
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4S/c1-15(21)16-9-11-19(12-10-16)25(22,23)20(14-18-8-5-13-24-18)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKeyVWHLVCBAPYPOFH-UHFFFAOYSA-N
XLogP3.88
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44948958
N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062923
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 44949280
N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 18100578
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 39877116
2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 41154762
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
CID 18111301

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide (CID 51307345) is 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide?
The InChIKey is VWHLVCBAPYPOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-15(21)16-9-11-19(12-10-16)25(22,23)20(14-18-8-5-13-24-18)17-6-3-2-4-7-17/h2-13H,14H2,1H3.
What are the key properties of 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide?
4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 51307345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).