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

C17H19NO5S — CID 110776919

IUPAC4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid
SMILESCCOc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C17H19NO5S/c1-4-23-16-10-11(2)15(9-12(16)3)18-24(21,22)14-7-5-13(6-8-14)17(19)20/h5-10,18H,4H2,1-3H3,(H,19,20)
InChIKeyFUXKEWGIZHHHIB-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.20
Rot. Bonds6

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

4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid (PubChem CID 110776919) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid
PubChem CID110776919
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid
SMILESCCOc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C17H19NO5S/c1-4-23-16-10-11(2)15(9-12(16)3)18-24(21,22)14-7-5-13(6-8-14)17(19)20/h5-10,18H,4H2,1-3H3,(H,19,20)
InChIKeyFUXKEWGIZHHHIB-UHFFFAOYSA-N
XLogP3.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid
CID 25358788
4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
CID 15944040
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-[[2-(benzenesulfonamido)-4-chloro-5-methylphenoxy]methyl]benzoic acid
CID 22672083
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 39845568
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid (CID 110776919) is 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid is CCOc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1C.
What is the InChIKey of 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid?
The InChIKey is FUXKEWGIZHHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-4-23-16-10-11(2)15(9-12(16)3)18-24(21,22)14-7-5-13(6-8-14)17(19)20/h5-10,18H,4H2,1-3H3,(H,19,20).
What are the key properties of 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid?
4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid has a molecular weight of 349.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 110776919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).