(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate

C15H14FNO4S — CID 8764876

IUPAC(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO4S/c1-17(2)22(19,20)14-5-3-4-11(10-14)15(18)21-13-8-6-12(16)7-9-13/h3-10H,1-2H3
InChIKeyRVQSODWHNPLCNY-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.30
Rot. Bonds4

About (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate

(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate (PubChem CID 8764876) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
PubChem CID8764876
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO4S/c1-17(2)22(19,20)14-5-3-4-11(10-14)15(18)21-13-8-6-12(16)7-9-13/h3-10H,1-2H3
InChIKeyRVQSODWHNPLCNY-UHFFFAOYSA-N
XLogP2.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate
CID 2713487
(3-bromophenyl) 3-(dimethylsulfamoyl)benzoate
CID 8017745
(4-butoxycarbonylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 8802721
[4-(1,3-dithiolan-2-yl)phenyl] 3-(dimethylsulfamoyl)benzoate
CID 7581328
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
(2,6-dimethylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 3946899
3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 8880057
(4-methoxycarbonylphenyl) 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 8961302
(4-chloro-2,6-dimethylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 8914010
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666906
(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate
CID 2339044

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate (CID 8764876) is (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate?
The InChIKey is RVQSODWHNPLCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-17(2)22(19,20)14-5-3-4-11(10-14)15(18)21-13-8-6-12(16)7-9-13/h3-10H,1-2H3.
What are the key properties of (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate?
(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 8764876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).