2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid

C15H14ClNO4S — CID 53228824

IUPAC2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-17(2)22(20,21)12-6-3-10(4-7-12)11-5-8-14(16)13(9-11)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyUUNDBXCLHVQDOJ-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid

2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid (PubChem CID 53228824) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
PubChem CID53228824
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-17(2)22(20,21)12-6-3-10(4-7-12)11-5-8-14(16)13(9-11)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyUUNDBXCLHVQDOJ-UHFFFAOYSA-N
XLogP2.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
4-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzoic acid
CID 53228823
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774
5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 60702313
2-chloro-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60951203
4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
CID 53219192
4-chloro-3-[(2Z)-2-[1-[4-(dimethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8973961
5-[1-carboxyethyl-(4-methylphenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894699
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
3-[4-(dimethylsulfamoyl)phenyl]-5-methoxybenzoic acid
CID 53228822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid?
The IUPAC name of 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid (CID 53228824) is 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid is CN(C)S(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid?
The InChIKey is UUNDBXCLHVQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-17(2)22(20,21)12-6-3-10(4-7-12)11-5-8-14(16)13(9-11)15(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid?
2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid has a molecular weight of 339.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid is sourced from PubChem (CID 53228824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).