2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid

C13H9Cl2NO5S — CID 175675404

IUPAC2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid
SMILESO=C(Nc1ccccc1S(=O)(=O)O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO5S/c14-8-5-7(6-9(15)12(8)17)13(18)16-10-3-1-2-4-11(10)22(19,20)21/h1-6,17H,(H,16,18)(H,19,20,21)
InChIKeyCLUYHLADSSYMCG-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.20
Rot. Bonds3

About 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid

2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid (PubChem CID 175675404) has the molecular formula C13H9Cl2NO5S and a molecular weight of 362.19 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid
PubChem CID175675404
Molecular FormulaC13H9Cl2NO5S
Molecular Weight362.19 g/mol
Exact Mass360.96
IUPAC Name2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid
SMILESO=C(Nc1ccccc1S(=O)(=O)O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO5S/c14-8-5-7(6-9(15)12(8)17)13(18)16-10-3-1-2-4-11(10)22(19,20)21/h1-6,17H,(H,16,18)(H,19,20,21)
InChIKeyCLUYHLADSSYMCG-UHFFFAOYSA-N
XLogP3.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-(difluoromethylsulfonyl)phenyl]benzamide
CID 8916740
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 55368530
4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
3-chloro-4-hydroxynaphthalene-1-sulfonic acid
CID 87294713
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-oxo-4-(2-sulfoanilino)but-2-enoic acid
CID 54030607
4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid
CID 139946841
2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 7375111
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
CID 116814222

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid?
The IUPAC name of 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid (CID 175675404) is 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid.
What is the SMILES notation for 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid?
The canonical SMILES for 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid is O=C(Nc1ccccc1S(=O)(=O)O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid?
The InChIKey is CLUYHLADSSYMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO5S/c14-8-5-7(6-9(15)12(8)17)13(18)16-10-3-1-2-4-11(10)22(19,20)21/h1-6,17H,(H,16,18)(H,19,20,21).
What are the key properties of 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid?
2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid has a molecular weight of 362.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzenesulfonic acid is sourced from PubChem (CID 175675404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).