2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H15F2NO4S — CID 64818000

IUPAC2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO4S/c14-8-5-6-12(10(15)7-8)21(19,20)16-11-4-2-1-3-9(11)13(17)18/h5-7,9,11,16H,1-4H2,(H,17,18)
InChIKeyISVRTZLBNQKKAQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 64818000) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID64818000
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO4S/c14-8-5-6-12(10(15)7-8)21(19,20)16-11-4-2-1-3-9(11)13(17)18/h5-7,9,11,16H,1-4H2,(H,17,18)
InChIKeyISVRTZLBNQKKAQ-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetamide
CID 51099663
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
3-fluoro-4-[[(1S,2R)-2-(trifluoromethyl)cyclohexyl]sulfamoyl]benzoic acid
CID 100631857
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
2-[(2,3,4-trifluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 71854613

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 64818000) is 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ISVRTZLBNQKKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-8-5-6-12(10(15)7-8)21(19,20)16-11-4-2-1-3-9(11)13(17)18/h5-7,9,11,16H,1-4H2,(H,17,18).
What are the key properties of 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 319.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64818000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).