methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate

C14H14FNO5S — CID 50894270

IUPACmethyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO5S/c1-20-14(17)10-16(9-12-3-2-8-21-12)22(18,19)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3
InChIKeyBTSFDJUHCJVQKO-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.78
Rot. Bonds6

About methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate

methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate (PubChem CID 50894270) has the molecular formula C14H14FNO5S and a molecular weight of 327.33 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
PubChem CID50894270
Molecular FormulaC14H14FNO5S
Molecular Weight327.33 g/mol
Exact Mass327.06
IUPAC Namemethyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO5S/c1-20-14(17)10-16(9-12-3-2-8-21-12)22(18,19)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3
InChIKeyBTSFDJUHCJVQKO-UHFFFAOYSA-N
XLogP1.78
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[furan-2-ylmethyl-(2-nitrophenyl)sulfonylamino]acetate
CID 50894542
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 24662805
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 3294592
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3938359
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate (CID 50894270) is methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate is COC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate?
The InChIKey is BTSFDJUHCJVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5S/c1-20-14(17)10-16(9-12-3-2-8-21-12)22(18,19)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3.
What are the key properties of methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate?
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate has a molecular weight of 327.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate is sourced from PubChem (CID 50894270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).