2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid

C14H12ClNO5S — CID 17341772

IUPAC2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO5S/c15-10-4-6-13(7-5-10)22(19,20)16-11-2-1-3-12(8-11)21-9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyJNQJAEZYLVLZKP-UHFFFAOYSA-N
MW341.77 g/mol
LogP2.60
Rot. Bonds6

About 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid

2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid (PubChem CID 17341772) has the molecular formula C14H12ClNO5S and a molecular weight of 341.77 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
PubChem CID17341772
Molecular FormulaC14H12ClNO5S
Molecular Weight341.77 g/mol
Exact Mass341.01
IUPAC Name2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO5S/c15-10-4-6-13(7-5-10)22(19,20)16-11-2-1-3-12(8-11)21-9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyJNQJAEZYLVLZKP-UHFFFAOYSA-N
XLogP2.60
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
2-(3-chlorophenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638123
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26592931
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid (CID 17341772) is 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid is O=C(O)COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid?
The InChIKey is JNQJAEZYLVLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5S/c15-10-4-6-13(7-5-10)22(19,20)16-11-2-1-3-12(8-11)21-9-14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid?
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid has a molecular weight of 341.77 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid is sourced from PubChem (CID 17341772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).