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

C15H13Cl2NO5S — CID 2385981

IUPAC2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO5S/c1-23-13-5-3-2-4-9(13)8-18-24(21,22)14-6-10(15(19)20)11(16)7-12(14)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyAFTCIYJXQXSRKY-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.18
Rot. Bonds6

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

2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid (PubChem CID 2385981) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
PubChem CID2385981
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC Name2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO5S/c1-23-13-5-3-2-4-9(13)8-18-24(21,22)14-6-10(15(19)20)11(16)7-12(14)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyAFTCIYJXQXSRKY-UHFFFAOYSA-N
XLogP3.18
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-((2-phenoxyethyl)sulfamoyl)benzoic acid
CID 2440703
2,4-Dichloro-5-[(furan-2-ylmethyl)sulfamoyl]benzoic acid
CID 2880064
2,4-dichloro-N-(4-methoxyphenyl)sulfonylbenzamide
CID 11164265
2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide
CID 11164266
2,4-Dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 1322543
2,4-Dichloro-5-{[2-(4-methoxyphenyl)ethyl]sulfamoyl}benzoic acid
CID 2119414
2,4-Dichloro-5-((4-ethoxyphenyl)sulfamoyl)benzoic acid
CID 2368808
2,4-Dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
3-(((4-Chlorophenyl)methyl)sulfamoyl)-4-methoxybenzoic acid
CID 2396435
2,4-Dichloro-5-{[(4-methoxyphenyl)(methyl)amino]sulfonyl}benzoic acid
CID 1314666
2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide
CID 16762732
5-[(Benzylamino)sulfonyl]-2,4-dichlorobenzoic acid
CID 1356288

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid (CID 2385981) is 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid is COc1ccccc1CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
The InChIKey is AFTCIYJXQXSRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-23-13-5-3-2-4-9(13)8-18-24(21,22)14-6-10(15(19)20)11(16)7-12(14)17/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid?
2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]benzoic acid has a molecular weight of 390.24 g/mol, XLogP of 3.18, 6 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)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 2385981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).