2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid

C16H22FNO4S — CID 167947922

IUPAC2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCC(F)C2CCCCC2)cc1
InChIInChI=1S/C16H22FNO4S/c17-15(13-4-2-1-3-5-13)11-18-23(21,22)14-8-6-12(7-9-14)10-16(19)20/h6-9,13,15,18H,1-5,10-11H2,(H,19,20)
InChIKeyQTCUGNIYIYYJIW-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.51
Rot. Bonds7

About 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid

2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid (PubChem CID 167947922) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid
PubChem CID167947922
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCC(F)C2CCCCC2)cc1
InChIInChI=1S/C16H22FNO4S/c17-15(13-4-2-1-3-5-13)11-18-23(21,22)14-8-6-12(7-9-14)10-16(19)20/h6-9,13,15,18H,1-5,10-11H2,(H,19,20)
InChIKeyQTCUGNIYIYYJIW-UHFFFAOYSA-N
XLogP2.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
CID 62694334
2-[4-(2-cyanopropylsulfamoyl)phenyl]acetic acid
CID 62668415
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
CID 113463674
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid
CID 115033268
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[[[(1R)-1-cycloheptylethyl]amino]methyl]phenyl]acetic acid
CID 103257924
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid (CID 167947922) is 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCC(F)C2CCCCC2)cc1.
What is the InChIKey of 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is QTCUGNIYIYYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c17-15(13-4-2-1-3-5-13)11-18-23(21,22)14-8-6-12(7-9-14)10-16(19)20/h6-9,13,15,18H,1-5,10-11H2,(H,19,20).
What are the key properties of 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 343.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 167947922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).