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

C15H14FNO4S — CID 807062

IUPACmethyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO4S/c1-10-3-4-11(15(18)21-2)9-14(10)17-22(19,20)13-7-5-12(16)6-8-13/h3-9,17H,1-2H3
InChIKeyFAAOWWHOPWHDNK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.72
Rot. Bonds4

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

methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate (PubChem CID 807062) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
PubChem CID807062
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Namemethyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO4S/c1-10-3-4-11(15(18)21-2)9-14(10)17-22(19,20)13-7-5-12(16)6-8-13/h3-9,17H,1-2H3
InChIKeyFAAOWWHOPWHDNK-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

methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
methyl 3-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 2696840
methyl 3-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]-4-methylbenzoate
CID 9378165
methyl 3-[(2,6-difluorophenyl)sulfonylamino]-4-methylbenzoate
CID 2648322
methyl 4-methyl-3-[(4-pentylphenyl)sulfonylamino]benzoate
CID 3759462
methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 2108537
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate (CID 807062) is methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate?
The InChIKey is FAAOWWHOPWHDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-10-3-4-11(15(18)21-2)9-14(10)17-22(19,20)13-7-5-12(16)6-8-13/h3-9,17H,1-2H3.
What are the key properties of methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate?
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-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 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate is sourced from PubChem (CID 807062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).