methyl 4-chloro-2-(ethylsulfonylamino)benzoate

C10H12ClNO4S — CID 18350465

IUPACmethyl 4-chloro-2-(ethylsulfonylamino)benzoate
SMILESCCS(=O)(=O)Nc1cc(Cl)ccc1C(=O)OC
InChIInChI=1S/C10H12ClNO4S/c1-3-17(14,15)12-9-6-7(11)4-5-8(9)10(13)16-2/h4-6,12H,3H2,1-2H3
InChIKeyKRRCGIORGVRYNR-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.89
Rot. Bonds4

About methyl 4-chloro-2-(ethylsulfonylamino)benzoate

methyl 4-chloro-2-(ethylsulfonylamino)benzoate (PubChem CID 18350465) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is methyl 4-chloro-2-(ethylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(ethylsulfonylamino)benzoate
PubChem CID18350465
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Namemethyl 4-chloro-2-(ethylsulfonylamino)benzoate
SMILESCCS(=O)(=O)Nc1cc(Cl)ccc1C(=O)OC
InChIInChI=1S/C10H12ClNO4S/c1-3-17(14,15)12-9-6-7(11)4-5-8(9)10(13)16-2/h4-6,12H,3H2,1-2H3
InChIKeyKRRCGIORGVRYNR-UHFFFAOYSA-N
XLogP1.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 4-(hydroxymethyl)-2-(propylsulfonylamino)benzoate
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4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
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methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(ethylsulfonylamino)benzoate?
The IUPAC name of methyl 4-chloro-2-(ethylsulfonylamino)benzoate (CID 18350465) is methyl 4-chloro-2-(ethylsulfonylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-2-(ethylsulfonylamino)benzoate?
The canonical SMILES for methyl 4-chloro-2-(ethylsulfonylamino)benzoate is CCS(=O)(=O)Nc1cc(Cl)ccc1C(=O)OC.
What is the InChIKey of methyl 4-chloro-2-(ethylsulfonylamino)benzoate?
The InChIKey is KRRCGIORGVRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-3-17(14,15)12-9-6-7(11)4-5-8(9)10(13)16-2/h4-6,12H,3H2,1-2H3.
What are the key properties of methyl 4-chloro-2-(ethylsulfonylamino)benzoate?
methyl 4-chloro-2-(ethylsulfonylamino)benzoate has a molecular weight of 277.73 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(ethylsulfonylamino)benzoate is sourced from PubChem (CID 18350465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).