methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate

C16H18N2O6S2 — CID 8841355

IUPACmethyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O6S2/c1-12-3-7-15(8-4-12)26(22,23)18-13-5-9-14(10-6-13)25(20,21)17-11-16(19)24-2/h3-10,17-18H,11H2,1-2H3
InChIKeyMGZUQCTXKCWYDY-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.25
Rot. Bonds7

About methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate

methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate (PubChem CID 8841355) has the molecular formula C16H18N2O6S2 and a molecular weight of 398.46 g/mol. Its IUPAC name is methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
PubChem CID8841355
Molecular FormulaC16H18N2O6S2
Molecular Weight398.46 g/mol
Exact Mass398.06
IUPAC Namemethyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O6S2/c1-12-3-7-15(8-4-12)26(22,23)18-13-5-9-14(10-6-13)25(20,21)17-11-16(19)24-2/h3-10,17-18H,11H2,1-2H3
InChIKeyMGZUQCTXKCWYDY-UHFFFAOYSA-N
XLogP1.25
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-methoxy-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27745145
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate?
The IUPAC name of methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate (CID 8841355) is methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate?
The canonical SMILES for methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate?
The InChIKey is MGZUQCTXKCWYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S2/c1-12-3-7-15(8-4-12)26(22,23)18-13-5-9-14(10-6-13)25(20,21)17-11-16(19)24-2/h3-10,17-18H,11H2,1-2H3.
What are the key properties of methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate?
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate has a molecular weight of 398.46 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate is sourced from PubChem (CID 8841355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).