2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid

C11H13ClN2O5S — CID 107435779

IUPAC2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H13ClN2O5S/c1-7-4-8(12)2-3-9(7)20(18,19)14(5-10(13)15)6-11(16)17/h2-4H,5-6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyPVIMDIKSYZOPDK-UHFFFAOYSA-N
MW320.75 g/mol
LogP0.21
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid

2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid (PubChem CID 107435779) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid
PubChem CID107435779
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H13ClN2O5S/c1-7-4-8(12)2-3-9(7)20(18,19)14(5-10(13)15)6-11(16)17/h2-4H,5-6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyPVIMDIKSYZOPDK-UHFFFAOYSA-N
XLogP0.21
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265464
2-[(2-amino-2-oxoethyl)-(2-chloro-4-methylphenyl)sulfonylamino]acetic acid
CID 107435628
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-[(2-amino-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid
CID 107435837
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[(2,4-dimethylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79274786
4-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483806
2-[(4-fluoro-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62033701
2-[(4-chloro-2-fluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265480
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
2-[(5-chloro-2-methylphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60828649

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid (CID 107435779) is 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid is Cc1cc(Cl)ccc1S(=O)(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid?
The InChIKey is PVIMDIKSYZOPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c1-7-4-8(12)2-3-9(7)20(18,19)14(5-10(13)15)6-11(16)17/h2-4H,5-6H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid has a molecular weight of 320.75 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 107435779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).