5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid

C17H19NO5S — CID 56797651

IUPAC5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid
SMILESCOc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)O)c(C)cc1C
InChIInChI=1S/C17H19NO5S/c1-11-9-12(2)16(10-13(11)17(19)20)24(21,22)18(3)14-7-5-6-8-15(14)23-4/h5-10H,1-4H3,(H,19,20)
InChIKeyUUFXMEXPSSOWTD-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.84
Rot. Bonds5

About 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid

5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid (PubChem CID 56797651) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid
PubChem CID56797651
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid
SMILESCOc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)O)c(C)cc1C
InChIInChI=1S/C17H19NO5S/c1-11-9-12(2)16(10-13(11)17(19)20)24(21,22)18(3)14-7-5-6-8-15(14)23-4/h5-10H,1-4H3,(H,19,20)
InChIKeyUUFXMEXPSSOWTD-UHFFFAOYSA-N
XLogP2.84
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-[(2-methoxyphenyl)-methylsulfamoyl]-4-methylbenzoic acid
CID 56799726
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 51127103
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
2,4-dimethyl-5-[methyl(pentan-3-yl)sulfamoyl]benzoic acid
CID 43571021
N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670349
methyl 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]benzoate
CID 78830595
ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 22515821
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid?
The IUPAC name of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid (CID 56797651) is 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid is COc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)O)c(C)cc1C.
What is the InChIKey of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid?
The InChIKey is UUFXMEXPSSOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11-9-12(2)16(10-13(11)17(19)20)24(21,22)18(3)14-7-5-6-8-15(14)23-4/h5-10H,1-4H3,(H,19,20).
What are the key properties of 5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid?
5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid has a molecular weight of 349.41 g/mol, XLogP of 2.84, 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]-2,4-dimethylbenzoic acid is sourced from PubChem (CID 56797651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).