2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid

C16H18N2O5S — CID 46292269

IUPAC2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H18N2O5S/c1-18(2)15-9-4-11(10-14(15)16(19)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3,(H,19,20)
InChIKeyBYOXUFIZHMHHAY-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.26
Rot. Bonds6

About 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid

2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 46292269) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
PubChem CID46292269
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H18N2O5S/c1-18(2)15-9-4-11(10-14(15)16(19)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3,(H,19,20)
InChIKeyBYOXUFIZHMHHAY-UHFFFAOYSA-N
XLogP2.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
CID 54710152
2-[butyl(methyl)amino]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146054965
2-[bis(2-methylpropyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 50766744
N-[(2S)-butan-2-yl]-N-[[2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]-2-ethylbutanamide
CID 93129099
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
5-[(4-methoxyphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055784
2-[benzyl(methyl)amino]-5-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 50766622
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42748003
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
2-[bis(2-methylpropyl)amino]-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid
CID 46292167
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid (CID 46292269) is 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid is COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is BYOXUFIZHMHHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-18(2)15-9-4-11(10-14(15)16(19)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3,(H,19,20).
What are the key properties of 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid?
2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 350.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 46292269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).