2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid

C15H13Cl2NO5S — CID 2471817

IUPAC2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO5S/c1-8-3-4-13(23-2)12(5-8)18-24(21,22)14-6-9(15(19)20)10(16)7-11(14)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyPKKNSPQROOHLEH-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.81
Rot. Bonds5

About 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid

2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 2471817) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
PubChem CID2471817
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC Name2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO5S/c1-8-3-4-13(23-2)12(5-8)18-24(21,22)14-6-9(15(19)20)10(16)7-11(14)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyPKKNSPQROOHLEH-UHFFFAOYSA-N
XLogP3.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 2368816
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 2473332
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 5178353
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99941336
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 51115488
4-chloro-3-[(2-methoxy-5-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 100820520
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid (CID 2471817) is 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid is COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is PKKNSPQROOHLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-8-3-4-13(23-2)12(5-8)18-24(21,22)14-6-9(15(19)20)10(16)7-11(14)17/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 390.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2471817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).