[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate

C18H17ClF2N2O6S — CID 29463714

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)ccc1Cl
InChIInChI=1S/C18H17ClF2N2O6S/c1-23(2)30(26,27)15-9-11(7-8-12(15)19)17(25)28-10-16(24)22-13-5-3-4-6-14(13)29-18(20)21/h3-9,18H,10H2,1-2H3,(H,22,24)
InChIKeyOUGHXCKTMZGVJV-UHFFFAOYSA-N
MW462.86 g/mol
LogP2.99
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate (PubChem CID 29463714) has the molecular formula C18H17ClF2N2O6S and a molecular weight of 462.86 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate
PubChem CID29463714
Molecular FormulaC18H17ClF2N2O6S
Molecular Weight462.86 g/mol
Exact Mass462.05
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)ccc1Cl
InChIInChI=1S/C18H17ClF2N2O6S/c1-23(2)30(26,27)15-9-11(7-8-12(15)19)17(25)28-10-16(24)22-13-5-3-4-6-14(13)29-18(20)21/h3-9,18H,10H2,1-2H3,(H,22,24)
InChIKeyOUGHXCKTMZGVJV-UHFFFAOYSA-N
XLogP2.99
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2397865
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2400404
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781439
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510780
[2-(2-methoxyanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2550543
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46626719
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-nitrobenzoate
CID 2622444
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973553
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2398748
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724605
[2-(2-acetylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 30104288

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate (CID 29463714) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)ccc1Cl.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate?
The InChIKey is OUGHXCKTMZGVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O6S/c1-23(2)30(26,27)15-9-11(7-8-12(15)19)17(25)28-10-16(24)22-13-5-3-4-6-14(13)29-18(20)21/h3-9,18H,10H2,1-2H3,(H,22,24).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate has a molecular weight of 462.86 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 29463714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).