5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid

C16H17NO5S — CID 2368838

IUPAC5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C16H17NO5S/c1-11-8-9-12(10-13(11)16(18)19)23(20,21)17(2)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3,(H,18,19)
InChIKeyVFXOEAGOHDEMBF-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.53
Rot. Bonds5

About 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid

5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid (PubChem CID 2368838) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid
PubChem CID2368838
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C16H17NO5S/c1-11-8-9-12(10-13(11)16(18)19)23(20,21)17(2)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3,(H,18,19)
InChIKeyVFXOEAGOHDEMBF-UHFFFAOYSA-N
XLogP2.53
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Benzyl(2-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3854694
4-(((2-Methoxyphenyl)methylamino)sulfonyl)benzoic acid
CID 2360199
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 1547898
(2-Amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2110224
N-(2-methoxyethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 2344182
N-tert-butyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2423238
[2-(Azepan-1-yl)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2445967
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 2467718

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid (CID 2368838) is 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid?
The InChIKey is VFXOEAGOHDEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-8-9-12(10-13(11)16(18)19)23(20,21)17(2)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3,(H,18,19).
What are the key properties of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid?
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid has a molecular weight of 335.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 2368838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).