methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate

C11H14ClNO4S — CID 95763267

IUPACmethyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-8(9-4-3-5-10(12)6-9)13-18(15,16)7-11(14)17-2/h3-6,8,13H,7H2,1-2H3/t8-/m0/s1
InChIKeyHARYHRRQBHFWBF-QMMMGPOBSA-N
MW291.76 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate

methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate (PubChem CID 95763267) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate
PubChem CID95763267
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Namemethyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-8(9-4-3-5-10(12)6-9)13-18(15,16)7-11(14)17-2/h3-6,8,13H,7H2,1-2H3/t8-/m0/s1
InChIKeyHARYHRRQBHFWBF-QMMMGPOBSA-N
XLogP1.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate?
The IUPAC name of methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate (CID 95763267) is methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate?
The canonical SMILES for methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate is COC(=O)CS(=O)(=O)N[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate?
The InChIKey is HARYHRRQBHFWBF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-8(9-4-3-5-10(12)6-9)13-18(15,16)7-11(14)17-2/h3-6,8,13H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate?
methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate has a molecular weight of 291.76 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate is sourced from PubChem (CID 95763267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).