(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate

C15H14ClNO4S — CID 110670356

IUPAC(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate
SMILESCc1ccccc1OC(=O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO4S/c1-11-6-2-4-8-13(11)21-15(18)10-17-22(19,20)14-9-5-3-7-12(14)16/h2-9,17H,10H2,1H3
InChIKeySXEUJNPHSUESJE-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.53
Rot. Bonds5

About (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate

(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate (PubChem CID 110670356) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate
PubChem CID110670356
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate
SMILESCc1ccccc1OC(=O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO4S/c1-11-6-2-4-8-13(11)21-15(18)10-17-22(19,20)14-9-5-3-7-12(14)16/h2-9,17H,10H2,1H3
InChIKeySXEUJNPHSUESJE-UHFFFAOYSA-N
XLogP2.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112990861
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate
CID 90715436

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate?
The IUPAC name of (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate (CID 110670356) is (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate?
The canonical SMILES for (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate is Cc1ccccc1OC(=O)CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate?
The InChIKey is SXEUJNPHSUESJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-11-6-2-4-8-13(11)21-15(18)10-17-22(19,20)14-9-5-3-7-12(14)16/h2-9,17H,10H2,1H3.
What are the key properties of (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate?
(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate has a molecular weight of 339.80 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 110670356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).