(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate

C20H15F2NO4S — CID 18267958

IUPAC(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1cccc(F)c1F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H15F2NO4S/c21-18-8-4-5-15(19(18)22)13-27-20(24)14-9-11-17(12-10-14)28(25,26)23-16-6-2-1-3-7-16/h1-12,23H,13H2
InChIKeyIFMCHWWLNNZVRL-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.12
Rot. Bonds6

About (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate

(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate (PubChem CID 18267958) has the molecular formula C20H15F2NO4S and a molecular weight of 403.41 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate
PubChem CID18267958
Molecular FormulaC20H15F2NO4S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC Name(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1cccc(F)c1F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H15F2NO4S/c21-18-8-4-5-15(19(18)22)13-27-20(24)14-9-11-17(12-10-14)28(25,26)23-16-6-2-1-3-7-16/h1-12,23H,13H2
InChIKeyIFMCHWWLNNZVRL-UHFFFAOYSA-N
XLogP4.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-3-pyridinyl)methyl 4-(phenylsulfamoyl)benzoate
CID 52559434
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
CID 16595735
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
CID 2372648
[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2512656
(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate
CID 25044147
(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475074
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475796
2-methylpropyl 4-(benzenesulfonamido)benzoate
CID 805921
4-(phenylsulfamoyl)benzoate
CID 6997297
(4-fluorophenyl)methyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25036611
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-(phenylsulfamoyl)benzoate
CID 3977110

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate?
The IUPAC name of (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate (CID 18267958) is (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate is O=C(OCc1cccc(F)c1F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate?
The InChIKey is IFMCHWWLNNZVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4S/c21-18-8-4-5-15(19(18)22)13-27-20(24)14-9-11-17(12-10-14)28(25,26)23-16-6-2-1-3-7-16/h1-12,23H,13H2.
What are the key properties of (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate?
(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate has a molecular weight of 403.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 18267958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).