methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate

C12H15Cl2NO4S — CID 60766960

IUPACmethyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-8(2)15(7-12(16)19-3)20(17,18)11-5-9(13)4-10(14)6-11/h4-6,8H,7H2,1-3H3
InChIKeySZDVIXRRQNNPIP-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.57
Rot. Bonds5

About methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate

methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 60766960) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate
PubChem CID60766960
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Namemethyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-8(2)15(7-12(16)19-3)20(17,18)11-5-9(13)4-10(14)6-11/h4-6,8H,7H2,1-3H3
InChIKeySZDVIXRRQNNPIP-UHFFFAOYSA-N
XLogP2.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate (CID 60766960) is methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate is COC(=O)CN(C(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is SZDVIXRRQNNPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-8(2)15(7-12(16)19-3)20(17,18)11-5-9(13)4-10(14)6-11/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate?
methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 340.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 60766960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).