(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate

C17H17ClFNO4S — CID 55475796

IUPAC(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO4S/c1-11(2)20-25(22,23)13-8-6-12(7-9-13)17(21)24-10-14-15(18)4-3-5-16(14)19/h3-9,11,20H,10H2,1-2H3
InChIKeyVYUIXMIXSCDBPB-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.52
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate

(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate (PubChem CID 55475796) has the molecular formula C17H17ClFNO4S and a molecular weight of 385.84 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate
PubChem CID55475796
Molecular FormulaC17H17ClFNO4S
Molecular Weight385.84 g/mol
Exact Mass385.06
IUPAC Name(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO4S/c1-11(2)20-25(22,23)13-8-6-12(7-9-13)17(21)24-10-14-15(18)4-3-5-16(14)19/h3-9,11,20H,10H2,1-2H3
InChIKeyVYUIXMIXSCDBPB-UHFFFAOYSA-N
XLogP3.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 46608995
(2-chloro-6-fluorophenyl)methyl 4-benzamidobenzoate
CID 1293916
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 46803049
(2-chloro-6-fluorophenyl)methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 7973883
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792
(2-chloro-6-fluorophenyl)methyl 4-(methylamino)-3-nitrobenzoate
CID 18274690
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
CID 139957940

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate (CID 55475796) is (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate is CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is VYUIXMIXSCDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4S/c1-11(2)20-25(22,23)13-8-6-12(7-9-13)17(21)24-10-14-15(18)4-3-5-16(14)19/h3-9,11,20H,10H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 385.84 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 55475796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).