4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid

C21H19NO7S — CID 56596202

IUPAC4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
SMILESCOc1ccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)cc1OC
InChIInChI=1S/C21H19NO7S/c1-28-19-9-6-14(11-20(19)29-2)13-4-3-5-16(10-13)30(26,27)22-15-7-8-17(21(24)25)18(23)12-15/h3-12,22-23H,1-2H3,(H,24,25)
InChIKeyFJKMMZNXRIQNQX-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.58
Rot. Bonds7

About 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid

4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 56596202) has the molecular formula C21H19NO7S and a molecular weight of 429.45 g/mol. Its IUPAC name is 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
PubChem CID56596202
Molecular FormulaC21H19NO7S
Molecular Weight429.45 g/mol
Exact Mass429.09
IUPAC Name4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
SMILESCOc1ccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)cc1OC
InChIInChI=1S/C21H19NO7S/c1-28-19-9-6-14(11-20(19)29-2)13-4-3-5-16(10-13)30(26,27)22-15-7-8-17(21(24)25)18(23)12-15/h3-12,22-23H,1-2H3,(H,24,25)
InChIKeyFJKMMZNXRIQNQX-UHFFFAOYSA-N
XLogP3.58
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-4-[[3-[4-(methoxycarbonylamino)phenyl]phenyl]sulfonylamino]benzoic acid
CID 56596050
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
4-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 175181066
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
methyl 2-hydroxy-4-[[3-[2-(hydroxymethyl)phenyl]phenyl]sulfonylamino]benzoate
CID 71611200
3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019506
4-[[6-chloro-5-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596351
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 53221142
N-cyclopropyl-3-[(3,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 109062347
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228934

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid (CID 56596202) is 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid is COc1ccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)cc1OC.
What is the InChIKey of 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is FJKMMZNXRIQNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO7S/c1-28-19-9-6-14(11-20(19)29-2)13-4-3-5-16(10-13)30(26,27)22-15-7-8-17(21(24)25)18(23)12-15/h3-12,22-23H,1-2H3,(H,24,25).
What are the key properties of 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid?
4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 429.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 56596202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).