5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid

C16H17NO5S — CID 136540449

IUPAC5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
SMILESCCOc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO5S/c1-3-22-13-5-4-6-14(10-13)23(20,21)17-12-8-7-11(2)15(9-12)16(18)19/h4-10,17H,3H2,1-2H3,(H,18,19)
InChIKeyYLHUFEMLLHGCJN-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.89
Rot. Bonds6

About 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid

5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid (PubChem CID 136540449) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
PubChem CID136540449
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
SMILESCCOc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO5S/c1-3-22-13-5-4-6-14(10-13)23(20,21)17-12-8-7-11(2)15(9-12)16(18)19/h4-10,17H,3H2,1-2H3,(H,18,19)
InChIKeyYLHUFEMLLHGCJN-UHFFFAOYSA-N
XLogP2.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282739
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid?
The IUPAC name of 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid (CID 136540449) is 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid is CCOc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid?
The InChIKey is YLHUFEMLLHGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-3-22-13-5-4-6-14(10-13)23(20,21)17-12-8-7-11(2)15(9-12)16(18)19/h4-10,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid?
5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid has a molecular weight of 335.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid is sourced from PubChem (CID 136540449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).