N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide

C19H19NO3S — CID 119103346

IUPACN-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1C
InChIInChI=1S/C19H19NO3S/c1-14-3-8-19(11-15(14)2)24(21,22)20-12-16-4-6-17(7-5-16)18-9-10-23-13-18/h3-11,13,20H,12H2,1-2H3
InChIKeyIXKMJCJZTRVJDK-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.04
Rot. Bonds5

About N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide

N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 119103346) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID119103346
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1C
InChIInChI=1S/C19H19NO3S/c1-14-3-8-19(11-15(14)2)24(21,22)20-12-16-4-6-17(7-5-16)18-9-10-23-13-18/h3-11,13,20H,12H2,1-2H3
InChIKeyIXKMJCJZTRVJDK-UHFFFAOYSA-N
XLogP4.04
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(furan-3-yl)phenyl]methyl]benzenesulfonamide
CID 126855012
N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126851040
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357
3,4-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 110405209
N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide
CID 162435301
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782569
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121022709
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide (CID 119103346) is N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1C.
What is the InChIKey of N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is IXKMJCJZTRVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14-3-8-19(11-15(14)2)24(21,22)20-12-16-4-6-17(7-5-16)18-9-10-23-13-18/h3-11,13,20H,12H2,1-2H3.
What are the key properties of N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 119103346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).