methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate

C26H23NO4S — CID 44549141

IUPACmethyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1
InChIInChI=1S/C26H23NO4S/c1-31-26(28)23-13-12-22-14-15-25(17-24(22)16-23)32(29,30)27(18-20-8-4-2-5-9-20)19-21-10-6-3-7-11-21/h2-17H,18-19H2,1H3
InChIKeyDOOAENLXZVNEHO-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.02
Rot. Bonds7

About methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate

methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate (PubChem CID 44549141) has the molecular formula C26H23NO4S and a molecular weight of 445.54 g/mol. Its IUPAC name is methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate
PubChem CID44549141
Molecular FormulaC26H23NO4S
Molecular Weight445.54 g/mol
Exact Mass445.13
IUPAC Namemethyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1
InChIInChI=1S/C26H23NO4S/c1-31-26(28)23-13-12-22-14-15-25(17-24(22)16-23)32(29,30)27(18-20-8-4-2-5-9-20)19-21-10-6-3-7-11-21/h2-17H,18-19H2,1H3
InChIKeyDOOAENLXZVNEHO-UHFFFAOYSA-N
XLogP5.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide
CID 44550989
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
methyl 2-[benzyl-[4-(diethylcarbamoyl)phenyl]sulfonylamino]acetate
CID 47956024
ethane;methyl naphthalene-2-carboxylate
CID 143895262
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
methyl 4-[[(3,4-dimethoxyphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoate
CID 126479524
methyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoate
CID 58128955
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
CID 143785818

Frequently Asked Questions

What is the IUPAC name of methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate (CID 44549141) is methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate is COC(=O)c1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1.
What is the InChIKey of methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate?
The InChIKey is DOOAENLXZVNEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4S/c1-31-26(28)23-13-12-22-14-15-25(17-24(22)16-23)32(29,30)27(18-20-8-4-2-5-9-20)19-21-10-6-3-7-11-21/h2-17H,18-19H2,1H3.
What are the key properties of methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate?
methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate has a molecular weight of 445.54 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate is sourced from PubChem (CID 44549141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).