benzoic acid;2,4-dichlorobenzenesulfonamide

C13H11Cl2NO4S — CID 175086946

IUPACbenzoic acid;2,4-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1Cl.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H5Cl2NO2S/c8-7(9)6-4-2-1-3-5-6;7-4-1-2-6(5(8)3-4)12(9,10)11/h1-5H,(H,8,9);1-3H,(H2,9,10,11)
InChIKeyLDBSNDXMPDAERP-UHFFFAOYSA-N
MW348.21 g/mol
LogP3.03
Rot. Bonds2

About benzoic acid;2,4-dichlorobenzenesulfonamide

benzoic acid;2,4-dichlorobenzenesulfonamide (PubChem CID 175086946) has the molecular formula C13H11Cl2NO4S and a molecular weight of 348.21 g/mol. Its IUPAC name is benzoic acid;2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound Namebenzoic acid;2,4-dichlorobenzenesulfonamide
PubChem CID175086946
Molecular FormulaC13H11Cl2NO4S
Molecular Weight348.21 g/mol
Exact Mass346.98
IUPAC Namebenzoic acid;2,4-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1Cl.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H5Cl2NO2S/c8-7(9)6-4-2-1-3-5-6;7-4-1-2-6(5(8)3-4)12(9,10)11/h1-5H,(H,8,9);1-3H,(H2,9,10,11)
InChIKeyLDBSNDXMPDAERP-UHFFFAOYSA-N
XLogP3.03
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-sulfamoylbenzoic acid
CID 47003139
3-chloro-N-(3-chloro-4-sulfamoylphenyl)benzamide
CID 43246493
benzamide;2-benzoyl-5-chlorobenzenesulfonamide
CID 174396594
benzoic acid;3-chlorobenzoic acid
CID 162034638
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
CID 90665331
N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
CID 101117427
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
4-amino-2-chlorobenzenesulfonamide
CID 12533522
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105
4-chloro-2-iodobenzenesulfonamide
CID 2824891
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2,4-dichlorobenzenesulfonamide?
The IUPAC name of benzoic acid;2,4-dichlorobenzenesulfonamide (CID 175086946) is benzoic acid;2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for benzoic acid;2,4-dichlorobenzenesulfonamide?
The canonical SMILES for benzoic acid;2,4-dichlorobenzenesulfonamide is NS(=O)(=O)c1ccc(Cl)cc1Cl.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;2,4-dichlorobenzenesulfonamide?
The InChIKey is LDBSNDXMPDAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H5Cl2NO2S/c8-7(9)6-4-2-1-3-5-6;7-4-1-2-6(5(8)3-4)12(9,10)11/h1-5H,(H,8,9);1-3H,(H2,9,10,11).
What are the key properties of benzoic acid;2,4-dichlorobenzenesulfonamide?
benzoic acid;2,4-dichlorobenzenesulfonamide has a molecular weight of 348.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 175086946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).