dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate

C20H17NO6S — CID 4685658

IUPACdimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cccc3ccccc23)cc(C(=O)OC)c1
InChIInChI=1S/C20H17NO6S/c1-26-19(22)14-10-15(20(23)27-2)12-16(11-14)21-28(24,25)18-9-5-7-13-6-3-4-8-17(13)18/h3-12,21H,1-2H3
InChIKeyISWFCLWXBARCTP-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.21
Rot. Bonds5

About dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate

dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate (PubChem CID 4685658) has the molecular formula C20H17NO6S and a molecular weight of 399.42 g/mol. Its IUPAC name is dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate
PubChem CID4685658
Molecular FormulaC20H17NO6S
Molecular Weight399.42 g/mol
Exact Mass399.08
IUPAC Namedimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cccc3ccccc23)cc(C(=O)OC)c1
InChIInChI=1S/C20H17NO6S/c1-26-19(22)14-10-15(20(23)27-2)12-16(11-14)21-28(24,25)18-9-5-7-13-6-3-4-8-17(13)18/h3-12,21H,1-2H3
InChIKeyISWFCLWXBARCTP-UHFFFAOYSA-N
XLogP3.21
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenylnaphthalene-1-sulfonamide
CID 3816137
methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate
CID 42276717
dimethyl 5-[(3,4-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22774942
methyl 3-[[(2-methylbenzoyl)amino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
CID 42472630
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
CID 18668246
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 1050459
dimethyl 5-(bromomethylsulfonylamino)benzene-1,3-dicarboxylate
CID 83084846
methyl 4-amino-3-(naphthalen-1-ylsulfonylmethyl)benzoate
CID 68677983
methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
CID 42247339

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate (CID 4685658) is dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate is COC(=O)c1cc(NS(=O)(=O)c2cccc3ccccc23)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate?
The InChIKey is ISWFCLWXBARCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6S/c1-26-19(22)14-10-15(20(23)27-2)12-16(11-14)21-28(24,25)18-9-5-7-13-6-3-4-8-17(13)18/h3-12,21H,1-2H3.
What are the key properties of dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate?
dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate has a molecular weight of 399.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate is sourced from PubChem (CID 4685658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).