N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C16H21NO5S — CID 71804459

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H21NO5S/c1-11-8-15(21-3)16(9-12(11)2)23(19,20)17-6-4-14(18)13-5-7-22-10-13/h5,7-10,14,17-18H,4,6H2,1-3H3
InChIKeyWNDZGGRYDOQXDE-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.31
Rot. Bonds7

About N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 71804459) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID71804459
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H21NO5S/c1-11-8-15(21-3)16(9-12(11)2)23(19,20)17-6-4-14(18)13-5-7-22-10-13/h5,7-10,14,17-18H,4,6H2,1-3H3
InChIKeyWNDZGGRYDOQXDE-UHFFFAOYSA-N
XLogP2.31
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 71804459) is N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCC(O)c1ccoc1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is WNDZGGRYDOQXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-11-8-15(21-3)16(9-12(11)2)23(19,20)17-6-4-14(18)13-5-7-22-10-13/h5,7-10,14,17-18H,4,6H2,1-3H3.
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 71804459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).