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

C14H11Cl2NO4S2 — CID 2473332

IUPAC2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
SMILESCSc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S2/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)
InChIKeyHOECHEHBLAPWPT-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.21
Rot. Bonds5

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

2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid (PubChem CID 2473332) has the molecular formula C14H11Cl2NO4S2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
PubChem CID2473332
Molecular FormulaC14H11Cl2NO4S2
Molecular Weight392.29 g/mol
Exact Mass390.95
IUPAC Name2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
SMILESCSc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S2/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)
InChIKeyHOECHEHBLAPWPT-UHFFFAOYSA-N
XLogP4.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786407
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 43081929

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid (CID 2473332) is 2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid is CSc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid?
The InChIKey is HOECHEHBLAPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S2/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-methylsulfanylphenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid has a molecular weight of 392.29 g/mol, XLogP of 4.21, 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-methylsulfanylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2473332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).