3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid

C18H22N2O7S2 — CID 24502300

IUPAC3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C18H22N2O7S2/c1-11-8-14(29(25,26)20(3)4)10-15(12(11)2)19-28(23,24)17-9-13(18(21)22)6-7-16(17)27-5/h6-10,19H,1-5H3,(H,21,22)
InChIKeyPAPJFDVEJZRYSE-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.06
Rot. Bonds7

About 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid

3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid (PubChem CID 24502300) has the molecular formula C18H22N2O7S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid
PubChem CID24502300
Molecular FormulaC18H22N2O7S2
Molecular Weight442.52 g/mol
Exact Mass442.09
IUPAC Name3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C18H22N2O7S2/c1-11-8-14(29(25,26)20(3)4)10-15(12(11)2)19-28(23,24)17-9-13(18(21)22)6-7-16(17)27-5/h6-10,19H,1-5H3,(H,21,22)
InChIKeyPAPJFDVEJZRYSE-UHFFFAOYSA-N
XLogP2.06
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24502312
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide
CID 24502290
N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24502292
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26773919
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516507
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
3-[[4-(dimethylsulfamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516597
N,N-diethyl-3-[(2-methoxy-5-nitrophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 24580950
4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide
CID 26978285
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid (CID 24502300) is 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C.
What is the InChIKey of 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid?
The InChIKey is PAPJFDVEJZRYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7S2/c1-11-8-14(29(25,26)20(3)4)10-15(12(11)2)19-28(23,24)17-9-13(18(21)22)6-7-16(17)27-5/h6-10,19H,1-5H3,(H,21,22).
What are the key properties of 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid?
3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid has a molecular weight of 442.52 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 24502300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).