3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid

C13H9Cl2NO4S — CID 2234493

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2NO4S/c14-11-5-4-10(7-12(11)15)21(19,20)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)
InChIKeyAKPAXFIVLVXWKY-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.49
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid

3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid (PubChem CID 2234493) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
PubChem CID2234493
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2NO4S/c14-11-5-4-10(7-12(11)15)21(19,20)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)
InChIKeyAKPAXFIVLVXWKY-UHFFFAOYSA-N
XLogP3.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
CID 75414770
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
3,4-dichloro-N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide
CID 3949751

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid (CID 2234493) is 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid?
The InChIKey is AKPAXFIVLVXWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-11-5-4-10(7-12(11)15)21(19,20)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid?
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid has a molecular weight of 346.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 2234493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).