[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate

C18H15ClF2N2O7S — CID 30327868

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H15ClF2N2O7S/c1-22-31(27,28)12-6-7-14(19)13(8-12)17(26)29-9-15(24)23-16(25)10-2-4-11(5-3-10)30-18(20)21/h2-8,18,22H,9H2,1H3,(H,23,24,25)
InChIKeyMFOLAVUDDQYGBX-UHFFFAOYSA-N
MW476.84 g/mol
LogP1.96
Rot. Bonds8

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate (PubChem CID 30327868) has the molecular formula C18H15ClF2N2O7S and a molecular weight of 476.84 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
PubChem CID30327868
Molecular FormulaC18H15ClF2N2O7S
Molecular Weight476.84 g/mol
Exact Mass476.03
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H15ClF2N2O7S/c1-22-31(27,28)12-6-7-14(19)13(8-12)17(26)29-9-15(24)23-16(25)10-2-4-11(5-3-10)30-18(20)21/h2-8,18,22H,9H2,1H3,(H,23,24,25)
InChIKeyMFOLAVUDDQYGBX-UHFFFAOYSA-N
XLogP1.96
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.84
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2502558
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321965
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524424
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975123
2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975114
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998441
[2-(3-methylbutylamino)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974945
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2103060
(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523778
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55311270
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790075
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate (CID 30327868) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The InChIKey is MFOLAVUDDQYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O7S/c1-22-31(27,28)12-6-7-14(19)13(8-12)17(26)29-9-15(24)23-16(25)10-2-4-11(5-3-10)30-18(20)21/h2-8,18,22H,9H2,1H3,(H,23,24,25).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate has a molecular weight of 476.84 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 30327868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).