2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid

C12H16FNO4S — CID 146137544

IUPAC2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
SMILESCC(C)(F)CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H16FNO4S/c1-12(2,13)8-14-19(17,18)10-5-3-9(4-6-10)7-11(15)16/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyKOUICFURDDNLAW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid

2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid (PubChem CID 146137544) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
PubChem CID146137544
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
SMILESCC(C)(F)CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H16FNO4S/c1-12(2,13)8-14-19(17,18)10-5-3-9(4-6-10)7-11(15)16/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyKOUICFURDDNLAW-UHFFFAOYSA-N
XLogP1.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenyl]acetic acid
CID 106244692
2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
CID 146092760
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
CID 62694334
2-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]acetic acid
CID 83116835
2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
CID 113463674
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
2-[4-(2-cyanopropylsulfamoyl)phenyl]acetic acid
CID 62668415
3-[4-(2,2-dimethylbutylsulfamoyl)phenyl]propanoic acid
CID 103460294
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid (CID 146137544) is 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid is CC(C)(F)CNS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is KOUICFURDDNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-12(2,13)8-14-19(17,18)10-5-3-9(4-6-10)7-11(15)16/h3-6,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 146137544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).