N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide

C18H18N2O3S — CID 121022709

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cncc(-c3ccco3)c2)cc1C
InChIInChI=1S/C18H18N2O3S/c1-13-5-6-17(8-14(13)2)24(21,22)20-11-15-9-16(12-19-10-15)18-4-3-7-23-18/h3-10,12,20H,11H2,1-2H3
InChIKeySYWZWPKWGNQFDO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.44
Rot. Bonds5

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 121022709) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID121022709
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cncc(-c3ccco3)c2)cc1C
InChIInChI=1S/C18H18N2O3S/c1-13-5-6-17(8-14(13)2)24(21,22)20-11-15-9-16(12-19-10-15)18-4-3-7-23-18/h3-10,12,20H,11H2,1-2H3
InChIKeySYWZWPKWGNQFDO-UHFFFAOYSA-N
XLogP3.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 121197305
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
CID 121197322
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121197304
4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121197330
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 121197266
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123854
3-chloro-4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196543
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 119103346
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196562

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide (CID 121022709) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cncc(-c3ccco3)c2)cc1C.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is SYWZWPKWGNQFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-5-6-17(8-14(13)2)24(21,22)20-11-15-9-16(12-19-10-15)18-4-3-7-23-18/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 121022709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).