2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid

C14H11Cl2NO4S — CID 2116937

IUPAC2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO4S/c15-12-6-5-11(8-13(12)16)22(20,21)17-10-3-1-9(2-4-10)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)
InChIKeyJHDALBMVZPHSDO-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.42
Rot. Bonds5

About 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid

2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid (PubChem CID 2116937) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid
PubChem CID2116937
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO4S/c15-12-6-5-11(8-13(12)16)22(20,21)17-10-3-1-9(2-4-10)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)
InChIKeyJHDALBMVZPHSDO-UHFFFAOYSA-N
XLogP3.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid (CID 2116937) is 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid?
The InChIKey is JHDALBMVZPHSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-12-6-5-11(8-13(12)16)22(20,21)17-10-3-1-9(2-4-10)7-14(18)19/h1-6,8,17H,7H2,(H,18,19).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid?
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid has a molecular weight of 360.22 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 2116937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).