4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid

C15H11ClO6S — CID 88611134

IUPAC4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OC(Cc2ccccc2Cl)=S(=O)=O)cc1O
InChIInChI=1S/C15H11ClO6S/c16-12-4-2-1-3-9(12)7-14(23(20)21)22-10-5-6-11(15(18)19)13(17)8-10/h1-6,8,17H,7H2,(H,18,19)
InChIKeyGMTXFNXSKZAAQN-UHFFFAOYSA-N
MW354.77 g/mol
LogP2.37
Rot. Bonds4

About 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid

4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid (PubChem CID 88611134) has the molecular formula C15H11ClO6S and a molecular weight of 354.77 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid
PubChem CID88611134
Molecular FormulaC15H11ClO6S
Molecular Weight354.77 g/mol
Exact Mass354.00
IUPAC Name4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OC(Cc2ccccc2Cl)=S(=O)=O)cc1O
InChIInChI=1S/C15H11ClO6S/c16-12-4-2-1-3-9(12)7-14(23(20)21)22-10-5-6-11(15(18)19)13(17)8-10/h1-6,8,17H,7H2,(H,18,19)
InChIKeyGMTXFNXSKZAAQN-UHFFFAOYSA-N
XLogP2.37
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[2-(2-methoxycarbonylphenyl)-1-sulfonylethoxy]benzoic acid
CID 88611133
2-hydroxy-4-(1-sulfonylpropoxy)benzoic acid
CID 19105944
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
CID 54434813
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
CID 139758970
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid?
The IUPAC name of 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid (CID 88611134) is 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid is O=C(O)c1ccc(OC(Cc2ccccc2Cl)=S(=O)=O)cc1O.
What is the InChIKey of 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid?
The InChIKey is GMTXFNXSKZAAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO6S/c16-12-4-2-1-3-9(12)7-14(23(20)21)22-10-5-6-11(15(18)19)13(17)8-10/h1-6,8,17H,7H2,(H,18,19).
What are the key properties of 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid?
4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid has a molecular weight of 354.77 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-1-sulfonylethoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 88611134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).