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

C15H14ClNO4S — CID 1353981

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4S/c16-13-6-8-14(9-7-13)22(20,21)17(11-15(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyJPVGYZQZTZCLRZ-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.62
Rot. Bonds6

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

2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid (PubChem CID 1353981) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid
PubChem CID1353981
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4S/c16-13-6-8-14(9-7-13)22(20,21)17(11-15(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKeyJPVGYZQZTZCLRZ-UHFFFAOYSA-N
XLogP2.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid (CID 1353981) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid is O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid?
The InChIKey is JPVGYZQZTZCLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c16-13-6-8-14(9-7-13)22(20,21)17(11-15(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid?
2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid has a molecular weight of 339.80 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 1353981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).