3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate

C15H14NO5S- — CID 8512318

IUPAC3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C15H15NO5S/c1-10-6-7-13(21-2)14(8-10)22(19,20)16-12-5-3-4-11(9-12)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1
InChIKeyUXAHBLQMYNAGHD-UHFFFAOYSA-M
MW320.35 g/mol
LogP1.17
Rot. Bonds5

About 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate

3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate (PubChem CID 8512318) has the molecular formula C15H14NO5S- and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
PubChem CID8512318
Molecular FormulaC15H14NO5S-
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C15H15NO5S/c1-10-6-7-13(21-2)14(8-10)22(19,20)16-12-5-3-4-11(9-12)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1
InChIKeyUXAHBLQMYNAGHD-UHFFFAOYSA-M
XLogP1.17
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190
3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoate
CID 7720276
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 110726303
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 30684608
3-[2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]ethyl]benzoic acid;3-[2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 157484364
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate (CID 8512318) is 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The InChIKey is UXAHBLQMYNAGHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO5S/c1-10-6-7-13(21-2)14(8-10)22(19,20)16-12-5-3-4-11(9-12)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1.
What are the key properties of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate has a molecular weight of 320.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 8512318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).