(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate

C16H16FNO5S — CID 18199634

IUPAC(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO5S/c1-18(22-2)24(20,21)15-5-3-4-13(10-15)16(19)23-11-12-6-8-14(17)9-7-12/h3-10H,11H2,1-2H3
InChIKeyANMMLHDILAXPNQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.36
Rot. Bonds6

About (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate

(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate (PubChem CID 18199634) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate
PubChem CID18199634
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO5S/c1-18(22-2)24(20,21)15-5-3-4-13(10-15)16(19)23-11-12-6-8-14(17)9-7-12/h3-10H,11H2,1-2H3
InChIKeyANMMLHDILAXPNQ-UHFFFAOYSA-N
XLogP2.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753628
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 35623092
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
(4-phenylmethoxyphenyl) 3-[methoxy(methyl)sulfamoyl]benzoate
CID 71902045
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
(3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722291
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
CID 8764876
(3-cyanophenyl)methyl 3-(dimethylsulfamoyl)benzoate
CID 7960623
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239
N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate?
The IUPAC name of (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate (CID 18199634) is (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate?
The canonical SMILES for (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate is CON(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate?
The InChIKey is ANMMLHDILAXPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-18(22-2)24(20,21)15-5-3-4-13(10-15)16(19)23-11-12-6-8-14(17)9-7-12/h3-10H,11H2,1-2H3.
What are the key properties of (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate?
(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate has a molecular weight of 353.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 18199634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).