2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid

C9H11FNO4PS — CID 155444287

IUPAC2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid
SMILESCN(CP)S(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H11FNO4PS/c1-11(5-16)17(14,15)6-2-3-8(10)7(4-6)9(12)13/h2-4H,5,16H2,1H3,(H,12,13)
InChIKeySJULCZKTQUSGQP-UHFFFAOYSA-N
MW279.23 g/mol
LogP0.98
Rot. Bonds4

About 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid

2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid (PubChem CID 155444287) has the molecular formula C9H11FNO4PS and a molecular weight of 279.23 g/mol. Its IUPAC name is 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid
PubChem CID155444287
Molecular FormulaC9H11FNO4PS
Molecular Weight279.23 g/mol
Exact Mass279.01
IUPAC Name2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid
SMILESCN(CP)S(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H11FNO4PS/c1-11(5-16)17(14,15)6-2-3-8(10)7(4-6)9(12)13/h2-4H,5,16H2,1H3,(H,12,13)
InChIKeySJULCZKTQUSGQP-UHFFFAOYSA-N
XLogP0.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-[3-(dimethylamino)propyl-methylsulfamoyl]-2-fluorobenzoic acid
CID 63693254
2-fluoro-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983001
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 43269326
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
5-[(2,4-dimethylphenyl)-methylsulfamoyl]-2-fluorobenzoic acid
CID 71890309
2-fluoro-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43323585
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962258
5-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
CID 61489074
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid (CID 155444287) is 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid is CN(CP)S(=O)(=O)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid?
The InChIKey is SJULCZKTQUSGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FNO4PS/c1-11(5-16)17(14,15)6-2-3-8(10)7(4-6)9(12)13/h2-4H,5,16H2,1H3,(H,12,13).
What are the key properties of 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid?
2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid has a molecular weight of 279.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[methyl(phosphanylmethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 155444287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).