2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid

C14H12FNO4S — CID 16773334

IUPAC2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
SMILESCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H12FNO4S/c1-16(12-8-4-2-6-10(12)14(17)18)21(19,20)13-9-5-3-7-11(13)15/h2-9H,1H3,(H,17,18)
InChIKeyMCMZCOWDWRWNBJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.35
Rot. Bonds4

About 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid

2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid (PubChem CID 16773334) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
PubChem CID16773334
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
SMILESCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H12FNO4S/c1-16(12-8-4-2-6-10(12)14(17)18)21(19,20)13-9-5-3-7-11(13)15/h2-9H,1H3,(H,17,18)
InChIKeyMCMZCOWDWRWNBJ-UHFFFAOYSA-N
XLogP2.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]benzoic acid
CID 43621552
4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154747396
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 51127103
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373
2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
CID 31579746
3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154748258
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2369671
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 80577082
2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
ethane;2-fluorobenzoic acid
CID 91182768

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid?
The IUPAC name of 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid (CID 16773334) is 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid is CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid?
The InChIKey is MCMZCOWDWRWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-16(12-8-4-2-6-10(12)14(17)18)21(19,20)13-9-5-3-7-11(13)15/h2-9H,1H3,(H,17,18).
What are the key properties of 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid?
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid is sourced from PubChem (CID 16773334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).