methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate

C15H14FNO4S — CID 22633909

IUPACmethyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-10-4-3-5-13(15(18)21-2)14(10)17-22(19,20)12-8-6-11(16)7-9-12/h3-9,17H,1-2H3
InChIKeyYJOOJURFWGTIFG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.72
Rot. Bonds4

About methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate

methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate (PubChem CID 22633909) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
PubChem CID22633909
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Namemethyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-10-4-3-5-13(15(18)21-2)14(10)17-22(19,20)12-8-6-11(16)7-9-12/h3-9,17H,1-2H3
InChIKeyYJOOJURFWGTIFG-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]-3-methylbenzoate
CID 22633899
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide
CID 74224377
2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
CID 36591620
methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069576
methyl 3-methyl-2-[(2-nitrophenyl)sulfonylamino]benzoate
CID 52700388
3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid
CID 43069587
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 1050459
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate (CID 22633909) is methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate is COC(=O)c1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate?
The InChIKey is YJOOJURFWGTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-10-4-3-5-13(15(18)21-2)14(10)17-22(19,20)12-8-6-11(16)7-9-12/h3-9,17H,1-2H3.
What are the key properties of methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate?
methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate has a molecular weight of 323.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate is sourced from PubChem (CID 22633909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).