methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate

C12H16F2N2O4S — CID 75399126

IUPACmethyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate
SMILESCOC(=O)CN(C)CCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O4S/c1-16(8-12(17)20-2)6-5-15-21(18,19)11-7-9(13)3-4-10(11)14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyHKXUIEVRBUUQFY-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.35
Rot. Bonds7

About methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate

methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate (PubChem CID 75399126) has the molecular formula C12H16F2N2O4S and a molecular weight of 322.33 g/mol. Its IUPAC name is methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate
PubChem CID75399126
Molecular FormulaC12H16F2N2O4S
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC Namemethyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate
SMILESCOC(=O)CN(C)CCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O4S/c1-16(8-12(17)20-2)6-5-15-21(18,19)11-7-9(13)3-4-10(11)14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyHKXUIEVRBUUQFY-UHFFFAOYSA-N
XLogP0.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62850287
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
CID 61067990
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
CID 115977957
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate?
The IUPAC name of methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate (CID 75399126) is methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate?
The canonical SMILES for methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate is COC(=O)CN(C)CCNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate?
The InChIKey is HKXUIEVRBUUQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4S/c1-16(8-12(17)20-2)6-5-15-21(18,19)11-7-9(13)3-4-10(11)14/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate?
methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate has a molecular weight of 322.33 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl-methylamino]acetate is sourced from PubChem (CID 75399126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).