4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate

C14H11FNO5S- — CID 7312195

IUPAC4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C14H12FNO5S/c1-21-12-7-4-10(15)8-13(12)22(19,20)16-11-5-2-9(3-6-11)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyDSWIWOPPAPZZPZ-UHFFFAOYSA-M
MW324.31 g/mol
LogP1.00
Rot. Bonds5

About 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate

4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 7312195) has the molecular formula C14H11FNO5S- and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
PubChem CID7312195
Molecular FormulaC14H11FNO5S-
Molecular Weight324.31 g/mol
Exact Mass324.03
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C14H12FNO5S/c1-21-12-7-4-10(15)8-13(12)22(19,20)16-11-5-2-9(3-6-11)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyDSWIWOPPAPZZPZ-UHFFFAOYSA-M
XLogP1.00
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate (CID 7312195) is 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate is COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is DSWIWOPPAPZZPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12FNO5S/c1-21-12-7-4-10(15)8-13(12)22(19,20)16-11-5-2-9(3-6-11)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1.
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate?
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 324.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7312195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).