methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate

C14H12FNO4S — CID 743385

IUPACmethyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO4S/c1-20-14(17)12-4-2-3-5-13(12)16-21(18,19)11-8-6-10(15)7-9-11/h2-9,16H,1H3
InChIKeyCMVNYAUIZZBWCZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.41
Rot. Bonds4

About methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate

methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate (PubChem CID 743385) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
PubChem CID743385
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Namemethyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO4S/c1-20-14(17)12-4-2-3-5-13(12)16-21(18,19)11-8-6-10(15)7-9-11/h2-9,16H,1H3
InChIKeyCMVNYAUIZZBWCZ-UHFFFAOYSA-N
XLogP2.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl Anthranilate
CID 8635
5-Methyl-2-((phenylsulfonyl)amino)benzoic acid
CID 6102684
Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
CID 22763
Benzoic acid, 2-((phenylsulfonyl)amino)-
CID 36941
2-(Propane-1-sulfonamido)benzoic acid
CID 16770253
N-(2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl)-p-toluenesulphonamide
CID 989114
Methyl 3-(4-methylbenzenesulfonamido)benzoate
CID 1159052
5,6-Disubstituted anthranilic acid sulfonamide, 9o
CID 10245616
Benzoic acid, 5-ethyl-2-[(phenylsulfonyl)amino]-
CID 10402833
2-Benzenesulfonamido-3,5-dimethylbenzoic acid
CID 23647758
5,6-Disubstituted anthranilic acid sulfonamide, 9b
CID 23647762
Benzoic acid, 2-(((4-fluorophenyl)sulfonyl)amino)-
CID 39853

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate (CID 743385) is methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is CMVNYAUIZZBWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-20-14(17)12-4-2-3-5-13(12)16-21(18,19)11-8-6-10(15)7-9-11/h2-9,16H,1H3.
What are the key properties of methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate?
methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 309.32 g/mol, XLogP of 2.41, 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]benzoate is sourced from PubChem (CID 743385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).