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

C16H16FNO4S — CID 974938

IUPAC(4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO4S/c1-12-2-8-15(9-3-12)23(20,21)18-10-16(19)22-11-13-4-6-14(17)7-5-13/h2-9,18H,10-11H2,1H3
InChIKeyRLONLGGPRHQVIM-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.16
Rot. Bonds6

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

(4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 974938) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID974938
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name(4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO4S/c1-12-2-8-15(9-3-12)23(20,21)18-10-16(19)22-11-13-4-6-14(17)7-5-13/h2-9,18H,10-11H2,1H3
InChIKeyRLONLGGPRHQVIM-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (CID 974938) is (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is RLONLGGPRHQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-12-2-8-15(9-3-12)23(20,21)18-10-16(19)22-11-13-4-6-14(17)7-5-13/h2-9,18H,10-11H2,1H3.
What are the key properties of (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
(4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 337.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 974938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).