2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid

C14H12ClNO4S — CID 2465192

IUPAC2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO4S/c15-12-3-1-2-4-13(12)21(19,20)16-11-7-5-10(6-8-11)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyFCACGETWKYZTAS-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.77
Rot. Bonds5

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

2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid (PubChem CID 2465192) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid
PubChem CID2465192
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO4S/c15-12-3-1-2-4-13(12)21(19,20)16-11-7-5-10(6-8-11)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyFCACGETWKYZTAS-UHFFFAOYSA-N
XLogP2.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-((2-Chlorophenyl)sulfamoyl)benzoic acid
CID 699751
4-(((4-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 39854
Amberlite IR 120 Plus
CID 8190984
2-[4-(2,6-Dichlorobenzenesulfonamido)phenyl]acetic acid
CID 2443735
4-(2,5-Dichlorobenzenesulfonamido)benzoic acid
CID 776763
4-(((3-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 1299802
3-{4-[(4-Methylphenyl)sulfamoyl]phenyl}propanoic acid
CID 973159
4-[4-(Benzenesulfonylamino)-phenyl]-butyric acid
CID 9840035
4-[4-[(4-Chlorophenyl)sulfonylamino]phenyl]butanoic acid
CID 19104271
4-[(4-chlorophenyl)sulfamoyl]benzoic Acid
CID 3326994
3-((4-Chlorophenyl)sulfamoyl)benzoic acid
CID 684906
3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid
CID 762841

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid (CID 2465192) is 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid?
The InChIKey is FCACGETWKYZTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c15-12-3-1-2-4-13(12)21(19,20)16-11-7-5-10(6-8-11)9-14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid?
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid has a molecular weight of 325.77 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 2465192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).