3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid

C14H11Cl2NO5S — CID 51127324

IUPAC3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO5S/c1-7-4-9(14(19)20)13(18)12(5-7)23(21,22)17-11-3-2-8(15)6-10(11)16/h2-6,17-18H,1H3,(H,19,20)
InChIKeyWZUYKQIXBLZCPU-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.51
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid

3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid (PubChem CID 51127324) has the molecular formula C14H11Cl2NO5S and a molecular weight of 376.22 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
PubChem CID51127324
Molecular FormulaC14H11Cl2NO5S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO5S/c1-7-4-9(14(19)20)13(18)12(5-7)23(21,22)17-11-3-2-8(15)6-10(11)16/h2-6,17-18H,1H3,(H,19,20)
InChIKeyWZUYKQIXBLZCPU-UHFFFAOYSA-N
XLogP3.51
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51126123
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 166324508
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
CID 29302580
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The IUPAC name of 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid (CID 51127324) is 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The canonical SMILES for 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid is Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The InChIKey is WZUYKQIXBLZCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO5S/c1-7-4-9(14(19)20)13(18)12(5-7)23(21,22)17-11-3-2-8(15)6-10(11)16/h2-6,17-18H,1H3,(H,19,20).
What are the key properties of 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid has a molecular weight of 376.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid is sourced from PubChem (CID 51127324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).