3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide

C18H18N2O5S2 — CID 31109957

IUPAC3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C18H18N2O5S2/c1-25-16-8-7-14-9-13(5-6-15(14)10-16)12-20-27(23,24)18-4-2-3-17(11-18)26(19,21)22/h2-11,20H,12H2,1H3,(H2,19,21,22)
InChIKeyFIMGEUSABTXEIF-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.97
Rot. Bonds6

About 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide

3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide (PubChem CID 31109957) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
PubChem CID31109957
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C18H18N2O5S2/c1-25-16-8-7-14-9-13(5-6-15(14)10-16)12-20-27(23,24)18-4-2-3-17(11-18)26(19,21)22/h2-11,20H,12H2,1H3,(H2,19,21,22)
InChIKeyFIMGEUSABTXEIF-UHFFFAOYSA-N
XLogP1.97
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333
N-[(6-methoxynaphthalen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 46696307
3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
CID 49457332
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
CID 71456775
3-methoxybenzenesulfonamide
CID 14763060
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 46696275
3-[[[4-(4-ethoxyphenoxy)phenyl]sulfonylamino]methyl]benzenesulfonamide
CID 55681739

Frequently Asked Questions

What is the IUPAC name of 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide (CID 31109957) is 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide is COc1ccc2cc(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)ccc2c1.
What is the InChIKey of 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide?
The InChIKey is FIMGEUSABTXEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-25-16-8-7-14-9-13(5-6-15(14)10-16)12-20-27(23,24)18-4-2-3-17(11-18)26(19,21)22/h2-11,20H,12H2,1H3,(H2,19,21,22).
What are the key properties of 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide?
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide has a molecular weight of 406.49 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 31109957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).