methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate

C15H13F2NO4S — CID 169372369

IUPACmethyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(F)c1F
InChIInChI=1S/C15H13F2NO4S/c1-9-3-5-10(6-4-9)23(20,21)18-12-8-7-11(15(19)22-2)13(16)14(12)17/h3-8,18H,1-2H3
InChIKeyGQUYNRFVKLAYHB-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.86
Rot. Bonds4

About methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate

methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 169372369) has the molecular formula C15H13F2NO4S and a molecular weight of 341.34 g/mol. Its IUPAC name is methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID169372369
Molecular FormulaC15H13F2NO4S
Molecular Weight341.34 g/mol
Exact Mass341.05
IUPAC Namemethyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(F)c1F
InChIInChI=1S/C15H13F2NO4S/c1-9-3-5-10(6-4-9)23(20,21)18-12-8-7-11(15(19)22-2)13(16)14(12)17/h3-8,18H,1-2H3
InChIKeyGQUYNRFVKLAYHB-UHFFFAOYSA-N
XLogP2.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372761
methyl 3,4-diamino-2,5-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 118497707
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 169371636
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 169372704
methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 139249633
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
methyl 5-[3-ethenyl-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 59566200

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate (CID 169372369) is methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(F)c1F.
What is the InChIKey of methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is GQUYNRFVKLAYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4S/c1-9-3-5-10(6-4-9)23(20,21)18-12-8-7-11(15(19)22-2)13(16)14(12)17/h3-8,18H,1-2H3.
What are the key properties of methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate?
methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 341.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 169372369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).