N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C20H22N2O3S — CID 121197304

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2cncc(-c3ccco3)c2)c1C
InChIInChI=1S/C20H22N2O3S/c1-13-8-14(2)16(4)20(15(13)3)26(23,24)22-11-17-9-18(12-21-10-17)19-6-5-7-25-19/h5-10,12,22H,11H2,1-4H3
InChIKeyWTEKNTNCYJPIBQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.05
Rot. Bonds5

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 121197304) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID121197304
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2cncc(-c3ccco3)c2)c1C
InChIInChI=1S/C20H22N2O3S/c1-13-8-14(2)16(4)20(15(13)3)26(23,24)22-11-17-9-18(12-21-10-17)19-6-5-7-25-19/h5-10,12,22H,11H2,1-4H3
InChIKeyWTEKNTNCYJPIBQ-UHFFFAOYSA-N
XLogP4.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 121197304) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2cncc(-c3ccco3)c2)c1C.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is WTEKNTNCYJPIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-8-14(2)16(4)20(15(13)3)26(23,24)22-11-17-9-18(12-21-10-17)19-6-5-7-25-19/h5-10,12,22H,11H2,1-4H3.
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.05, 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]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 121197304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).