methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate

C11H14ClNO5S — CID 3318444

IUPACmethyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H14ClNO5S/c1-13(7-11(14)18-3)19(15,16)10-6-8(12)4-5-9(10)17-2/h4-6H,7H2,1-3H3
InChIKeyBWCPTMISOAJMBO-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate

methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate (PubChem CID 3318444) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
PubChem CID3318444
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Namemethyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H14ClNO5S/c1-13(7-11(14)18-3)19(15,16)10-6-8(12)4-5-9(10)17-2/h4-6H,7H2,1-3H3
InChIKeyBWCPTMISOAJMBO-UHFFFAOYSA-N
XLogP1.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate (CID 3318444) is methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
The InChIKey is BWCPTMISOAJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-13(7-11(14)18-3)19(15,16)10-6-8(12)4-5-9(10)17-2/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate has a molecular weight of 307.76 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 3318444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).