2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid

C13H11ClN2O4S — CID 1472205

IUPAC2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid
SMILESO=C(O)CN(c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O4S/c14-10-4-6-11(7-5-10)21(19,20)16(9-13(17)18)12-3-1-2-8-15-12/h1-8H,9H2,(H,17,18)
InChIKeyKXCQCBUYPBXGDG-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.01
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid

2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid (PubChem CID 1472205) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid
PubChem CID1472205
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid
SMILESO=C(O)CN(c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O4S/c14-10-4-6-11(7-5-10)21(19,20)16(9-13(17)18)12-3-1-2-8-15-12/h1-8H,9H2,(H,17,18)
InChIKeyKXCQCBUYPBXGDG-UHFFFAOYSA-N
XLogP2.01
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid (CID 1472205) is 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid is O=C(O)CN(c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
The InChIKey is KXCQCBUYPBXGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c14-10-4-6-11(7-5-10)21(19,20)16(9-13(17)18)12-3-1-2-8-15-12/h1-8H,9H2,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid has a molecular weight of 326.76 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-pyridin-2-ylamino]acetic acid is sourced from PubChem (CID 1472205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).