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

C16H16ClNO5S — CID 15944040

IUPAC4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16ClNO5S/c1-3-23-14-8-10(2)13(17)9-15(14)24(21,22)18-12-6-4-11(5-7-12)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyXOCFOANPPNSIDI-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.55
Rot. Bonds6

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

4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 15944040) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
PubChem CID15944040
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Name4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16ClNO5S/c1-3-23-14-8-10(2)13(17)9-15(14)24(21,22)18-12-6-4-11(5-7-12)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyXOCFOANPPNSIDI-UHFFFAOYSA-N
XLogP3.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 39845076
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 42034386
4-[(4-ethoxy-2,5-dimethylphenyl)sulfamoyl]benzoic acid
CID 110776919
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42992560

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid (CID 15944040) is 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid is CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is XOCFOANPPNSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-3-23-14-8-10(2)13(17)9-15(14)24(21,22)18-12-6-4-11(5-7-12)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid?
4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid has a molecular weight of 369.83 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 15944040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).