methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate

C14H19NO5S — CID 101460059

IUPACmethyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H19NO5S/c1-10-5-7-11(8-6-10)21(17,18)15-13(14(16)19-2)12-4-3-9-20-12/h5-8,12-13,15H,3-4,9H2,1-2H3/t12-,13?/m0/s1
InChIKeyXCAXFXHEHREFLN-UEWDXFNNSA-N
MW313.38 g/mol
LogP0.99
Rot. Bonds5

About methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate

methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate (PubChem CID 101460059) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate
PubChem CID101460059
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H19NO5S/c1-10-5-7-11(8-6-10)21(17,18)15-13(14(16)19-2)12-4-3-9-20-12/h5-8,12-13,15H,3-4,9H2,1-2H3/t12-,13?/m0/s1
InChIKeyXCAXFXHEHREFLN-UEWDXFNNSA-N
XLogP0.99
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[[4-[[(4-methylphenyl)sulfonylamino]-(oxolan-2-yl)methyl]phenyl]methylidene]propanedioate
CID 25179532
2-[(2S,3S)-2-cyanooxan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid
CID 66932585
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-[(3S)-2-prop-2-enyloxan-3-yl]acetate
CID 90147964
dimethyl 2-[(4-methylphenyl)sulfonylamino]propanedioate
CID 11141140
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
CID 101180255
methyl 2-(4-fluoroanilino)-2-(oxolan-2-yl)acetate
CID 82836869
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
ethyl 2-(2-cyanooxolan-3-yl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 72802146
methyl (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-2-(4-hydroxycyclohexyl)acetate
CID 91120603
methyl 2-[(4-methylphenyl)sulfonylamino]-3-oxobutanoate
CID 102140734
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3S)-2-prop-2-enyloxolan-3-yl]acetate
CID 88972997
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-[(3S)-2-prop-2-enyloxolan-3-yl]acetate
CID 90147963

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate (CID 101460059) is methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate is COC(=O)C(NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1.
What is the InChIKey of methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate?
The InChIKey is XCAXFXHEHREFLN-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-5-7-11(8-6-10)21(17,18)15-13(14(16)19-2)12-4-3-9-20-12/h5-8,12-13,15H,3-4,9H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate?
methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate has a molecular weight of 313.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate is sourced from PubChem (CID 101460059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).