2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid

C14H18FNO4S — CID 146137516

IUPAC2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2F)c1
InChIInChI=1S/C14H18FNO4S/c15-12-6-1-2-7-13(12)16-21(19,20)11-5-3-4-10(8-11)9-14(17)18/h3-5,8,12-13,16H,1-2,6-7,9H2,(H,17,18)/t12-,13-/m1/s1
InChIKeyPJRKFPPQAAISNE-CHWSQXEVSA-N
MW315.37 g/mol
LogP1.87
Rot. Bonds5

About 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid

2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid (PubChem CID 146137516) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid
PubChem CID146137516
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2F)c1
InChIInChI=1S/C14H18FNO4S/c15-12-6-1-2-7-13(12)16-21(19,20)11-5-3-4-10(8-11)9-14(17)18/h3-5,8,12-13,16H,1-2,6-7,9H2,(H,17,18)/t12-,13-/m1/s1
InChIKeyPJRKFPPQAAISNE-CHWSQXEVSA-N
XLogP1.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-aminocyclohexyl]-3-(bromomethyl)benzenesulfonamide
CID 97168887
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
CID 146108649
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
2-[3-[6-[[3-(carboxymethyl)phenyl]sulfonylcarbamoylamino]hexylcarbamoylsulfamoyl]phenyl]acetic acid
CID 67245179
3-bromo-N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179808
N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
CID 106367483
2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
CID 62961272
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid (CID 146137516) is 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid is O=C(O)Cc1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2F)c1.
What is the InChIKey of 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid?
The InChIKey is PJRKFPPQAAISNE-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18FNO4S/c15-12-6-1-2-7-13(12)16-21(19,20)11-5-3-4-10(8-11)9-14(17)18/h3-5,8,12-13,16H,1-2,6-7,9H2,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid?
2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1R,2R)-2-fluorocyclohexyl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 146137516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).