2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid

C14H13NO5S — CID 23061993

IUPAC2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)c2ccccc2O)c1
InChIInChI=1S/C14H13NO5S/c16-12-6-1-2-7-13(12)21(19,20)15-11-5-3-4-10(8-11)9-14(17)18/h1-8,15-16H,9H2,(H,17,18)
InChIKeyQFCRJEOCFBAPAQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.82
Rot. Bonds5

About 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid

2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid (PubChem CID 23061993) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
PubChem CID23061993
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)c2ccccc2O)c1
InChIInChI=1S/C14H13NO5S/c16-12-6-1-2-7-13(12)21(19,20)15-11-5-3-4-10(8-11)9-14(17)18/h1-8,15-16H,9H2,(H,17,18)
InChIKeyQFCRJEOCFBAPAQ-UHFFFAOYSA-N
XLogP1.82
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
CID 106523222
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate
CID 67310883

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid (CID 23061993) is 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid is O=C(O)Cc1cccc(NS(=O)(=O)c2ccccc2O)c1.
What is the InChIKey of 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid?
The InChIKey is QFCRJEOCFBAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c16-12-6-1-2-7-13(12)21(19,20)15-11-5-3-4-10(8-11)9-14(17)18/h1-8,15-16H,9H2,(H,17,18).
What are the key properties of 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid?
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid has a molecular weight of 307.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 23061993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).