2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid

C14H13NO5S — CID 43714781

IUPAC2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C14H13NO5S/c16-12-5-3-11(4-6-12)15-21(19,20)13-7-1-10(2-8-13)9-14(17)18/h1-8,15-16H,9H2,(H,17,18)
InChIKeyQRJMBUCIJUEBLR-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid

2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid (PubChem CID 43714781) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
PubChem CID43714781
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C14H13NO5S/c16-12-5-3-11(4-6-12)15-21(19,20)13-7-1-10(2-8-13)9-14(17)18/h1-8,15-16H,9H2,(H,17,18)
InChIKeyQRJMBUCIJUEBLR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid
CID 166219737
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid
CID 66675508
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
CID 106523222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid (CID 43714781) is 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is QRJMBUCIJUEBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c16-12-5-3-11(4-6-12)15-21(19,20)13-7-1-10(2-8-13)9-14(17)18/h1-8,15-16H,9H2,(H,17,18).
What are the key properties of 2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(4-hydroxyphenyl)sulfamoyl]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-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43714781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).