2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid

C15H15NO5S — CID 123758689

IUPAC2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid
SMILESCN(C)c1ccc(C(=O)c2ccccc2S(=O)(=O)O)c(O)c1
InChIInChI=1S/C15H15NO5S/c1-16(2)10-7-8-11(13(17)9-10)15(18)12-5-3-4-6-14(12)22(19,20)21/h3-9,17H,1-2H3,(H,19,20,21)
InChIKeyYHIUWRSPUTYGFY-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid

2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid (PubChem CID 123758689) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid
PubChem CID123758689
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid
SMILESCN(C)c1ccc(C(=O)c2ccccc2S(=O)(=O)O)c(O)c1
InChIInChI=1S/C15H15NO5S/c1-16(2)10-7-8-11(13(17)9-10)15(18)12-5-3-4-6-14(12)22(19,20)21/h3-9,17H,1-2H3,(H,19,20,21)
InChIKeyYHIUWRSPUTYGFY-UHFFFAOYSA-N
XLogP1.94
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid
CID 655619
2-hydroxy-4-(N-isobutyl-[1,1''-biphenyl]-4-ylsulfonamido) benzoic acid
CID 135238741
1-[4-(Dimethylamino)-2-hydroxyphenyl]ethan-1-one
CID 13782798
4-(4-fluoro-N-isobutylphenyl-sulfonamido)-2-hydroxybenzoic acid
CID 126480831
2-hydroxy-4-(N-isobutylphenyl-sulfonamido) benzoic acid
CID 126480887
2-hydroxy-4-(N-isobutyl-4-methylphenyl-sulfonamido) benzoic acid
CID 126480894
1-[4-(Dimethylamino)-2-hydroxyphenyl]-3-phenyl-2-propen-1-one
CID 53425875
(E)-1-[4-(dimethylamino)-2-hydroxyphenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 164623788
1-(4-Diethylamino-2-hydroxy-phenyl)-ethanone
CID 4737099
Hydroxyl-4-(dimethylamino) benzophenone
CID 13782797
[4-(Dimethylamino)-2-hydroxyphenyl](pentafluorophenyl)methanone
CID 91742966
4'-(Dimethylamino)-2'-hydroxychalcone
CID 5743627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid?
The IUPAC name of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid (CID 123758689) is 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid?
The canonical SMILES for 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid is CN(C)c1ccc(C(=O)c2ccccc2S(=O)(=O)O)c(O)c1.
What is the InChIKey of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid?
The InChIKey is YHIUWRSPUTYGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-16(2)10-7-8-11(13(17)9-10)15(18)12-5-3-4-6-14(12)22(19,20)21/h3-9,17H,1-2H3,(H,19,20,21).
What are the key properties of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid?
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid has a molecular weight of 321.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzenesulfonic acid is sourced from PubChem (CID 123758689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).