3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid

C17H18N2O6S — CID 24580838

IUPAC3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H18N2O6S/c1-19(2)16(20)11-4-7-13(8-5-11)18-26(23,24)15-10-12(17(21)22)6-9-14(15)25-3/h4-10,18H,1-3H3,(H,21,22)
InChIKeySVMIXCISCBGDJQ-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.90
Rot. Bonds6

About 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid

3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid (PubChem CID 24580838) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
PubChem CID24580838
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H18N2O6S/c1-19(2)16(20)11-4-7-13(8-5-11)18-26(23,24)15-10-12(17(21)22)6-9-14(15)25-3/h4-10,18H,1-3H3,(H,21,22)
InChIKeySVMIXCISCBGDJQ-UHFFFAOYSA-N
XLogP1.90
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 15944042
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 24656737
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
4-[[5-[(E)-2-carboxyethenyl]-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 1118035
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid (CID 24580838) is 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid?
The InChIKey is SVMIXCISCBGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-19(2)16(20)11-4-7-13(8-5-11)18-26(23,24)15-10-12(17(21)22)6-9-14(15)25-3/h4-10,18H,1-3H3,(H,21,22).
What are the key properties of 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid?
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid has a molecular weight of 378.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 24580838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).