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

C14H11Cl2NO5S — CID 1322543

IUPAC2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO5S/c1-22-12-5-3-2-4-11(12)17-23(20,21)13-6-8(14(18)19)9(15)7-10(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyRSDVFDFGJSGSEX-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.50
Rot. Bonds5

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

2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 1322543) has the molecular formula C14H11Cl2NO5S and a molecular weight of 376.22 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID1322543
Molecular FormulaC14H11Cl2NO5S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO5S/c1-22-12-5-3-2-4-11(12)17-23(20,21)13-6-8(14(18)19)9(15)7-10(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyRSDVFDFGJSGSEX-UHFFFAOYSA-N
XLogP3.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Benzyl(2-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3854694
3-[(2-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2318420
2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic Acid
CID 2325693
2,4-Dichloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)benzoic acid
CID 1267158
4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic Acid
CID 2473406
2-Chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 3637461
2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic Acid
CID 2324377
2,4-Dichloro-5-{[(2-methoxyphenyl)methyl]sulfamoyl}benzoic acid
CID 2385981
2,4-Dichloro-5-{[2-(4-methoxyphenyl)ethyl]sulfamoyl}benzoic acid
CID 2119414
[2-(2,4-Dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2351467
2,4-Dichloro-5-[(4-hydroxyphenyl)sulfamoyl]benzoic acid
CID 22331937
3-[(5-Chloro-2-methylphenyl)sulfonylamino]-4-methoxybenzoic acid
CID 178314414

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid (CID 1322543) is 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is RSDVFDFGJSGSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO5S/c1-22-12-5-3-2-4-11(12)17-23(20,21)13-6-8(14(18)19)9(15)7-10(13)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 376.22 g/mol, XLogP of 3.50, 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-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 1322543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).