3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid

C19H17NO6S — CID 45478490

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)O)cc1OC
InChIInChI=1S/C19H17NO6S/c1-25-17-8-7-14(11-18(17)26-2)27(23,24)20-16-10-13-6-4-3-5-12(13)9-15(16)19(21)22/h3-11,20H,1-2H3,(H,21,22)
InChIKeyASOHYLLHCGJSPT-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.36
Rot. Bonds6

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid

3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid (PubChem CID 45478490) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
PubChem CID45478490
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)O)cc1OC
InChIInChI=1S/C19H17NO6S/c1-25-17-8-7-14(11-18(17)26-2)27(23,24)20-16-10-13-6-4-3-5-12(13)9-15(16)19(21)22/h3-11,20H,1-2H3,(H,21,22)
InChIKeyASOHYLLHCGJSPT-UHFFFAOYSA-N
XLogP3.36
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 39829304
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
3-bromo-6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 86807570
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid (CID 45478490) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid is COc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)O)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The InChIKey is ASOHYLLHCGJSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-25-17-8-7-14(11-18(17)26-2)27(23,24)20-16-10-13-6-4-3-5-12(13)9-15(16)19(21)22/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid has a molecular weight of 387.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 45478490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).