(4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate

C19H16FNO4S — CID 7906467

IUPAC(4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1ccc(F)cc1
InChIInChI=1S/C19H16FNO4S/c20-17-8-5-14(6-9-17)13-25-19(22)12-21-26(23,24)18-10-7-15-3-1-2-4-16(15)11-18/h1-11,21H,12-13H2
InChIKeyBYYRTQOGHBWEDL-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.00
Rot. Bonds6

About (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate

(4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 7906467) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID7906467
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name(4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1ccc(F)cc1
InChIInChI=1S/C19H16FNO4S/c20-17-8-5-14(6-9-17)13-25-19(22)12-21-26(23,24)18-10-7-15-3-1-2-4-16(15)11-18/h1-11,21H,12-13H2
InChIKeyBYYRTQOGHBWEDL-UHFFFAOYSA-N
XLogP3.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(1S)-1-(4-fluorophenyl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
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[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839482
[2-(Trifluoromethyl)phenyl]methyl 2-[(4-methylphenyl)sulfonylamino]acetate
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Benzhydryl 2-[(phenylsulfonyl)amino]acetate
CID 1310060
(2-Chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 18285897
N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide
CID 91352306
N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
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(4-Fluorophenyl)methyl 2-(benzenesulfonamido)acetate
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(2-Fluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596323

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (CID 7906467) is (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is BYYRTQOGHBWEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c20-17-8-5-14(6-9-17)13-25-19(22)12-21-26(23,24)18-10-7-15-3-1-2-4-16(15)11-18/h1-11,21H,12-13H2.
What are the key properties of (4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
(4-fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 373.41 g/mol, XLogP of 3.00, 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-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 7906467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).