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

C16H15ClFNO5S — CID 8722291

IUPAC(3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C16H15ClFNO5S/c1-19(23-2)25(21,22)15-9-12(6-7-14(15)17)16(20)24-10-11-4-3-5-13(18)8-11/h3-9H,10H2,1-2H3
InChIKeyNWPIHEYGABLGHS-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.02
Rot. Bonds6

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

(3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate (PubChem CID 8722291) has the molecular formula C16H15ClFNO5S and a molecular weight of 387.82 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
PubChem CID8722291
Molecular FormulaC16H15ClFNO5S
Molecular Weight387.82 g/mol
Exact Mass387.03
IUPAC Name(3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C16H15ClFNO5S/c1-19(23-2)25(21,22)15-9-12(6-7-14(15)17)16(20)24-10-11-4-3-5-13(18)8-11/h3-9H,10H2,1-2H3
InChIKeyNWPIHEYGABLGHS-UHFFFAOYSA-N
XLogP3.02
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.02
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

(2-cyanophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8631211
(3-fluorophenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529935
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
2-phenoxyethyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722281
1,3-benzothiazol-2-ylmethyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 27738500
(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate
CID 18199634
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 55373351
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 55391757
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8631224
[2-(4-chloroanilino)-2-oxoethyl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 27738423
(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 16569929

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
The IUPAC name of (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate (CID 8722291) is (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
The canonical SMILES for (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate is CON(C)S(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2)ccc1Cl.
What is the InChIKey of (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
The InChIKey is NWPIHEYGABLGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO5S/c1-19(23-2)25(21,22)15-9-12(6-7-14(15)17)16(20)24-10-11-4-3-5-13(18)8-11/h3-9H,10H2,1-2H3.
What are the key properties of (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate?
(3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate has a molecular weight of 387.82 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 8722291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).