2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid

C16H17NO5S — CID 56808508

IUPAC2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO5S/c1-3-22-15-9-8-13(10-14(15)16(18)19)23(20,21)17-12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3,(H,18,19)
InChIKeyWCCJBTVWOYKLFC-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.89
Rot. Bonds6

About 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid

2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 56808508) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
PubChem CID56808508
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO5S/c1-3-22-15-9-8-13(10-14(15)16(18)19)23(20,21)17-12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3,(H,18,19)
InChIKeyWCCJBTVWOYKLFC-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-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
CID 154746500
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855
2-ethoxy-5-(pentylsulfamoyl)benzoic acid
CID 43327811
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid (CID 56808508) is 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid is CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is WCCJBTVWOYKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-3-22-15-9-8-13(10-14(15)16(18)19)23(20,21)17-12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic 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 2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 56808508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).