2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid

C13H16FNO4S — CID 61066174

IUPAC2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H16FNO4S/c14-10-7-4-8-11(12(10)13(16)17)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17)
InChIKeyRBNSWXUNUBWAMZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.60
Rot. Bonds4

About 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid

2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid (PubChem CID 61066174) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
PubChem CID61066174
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H16FNO4S/c14-10-7-4-8-11(12(10)13(16)17)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17)
InChIKeyRBNSWXUNUBWAMZ-UHFFFAOYSA-N
XLogP2.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
CID 63724305
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid
CID 174679647
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
N-(3-hydroxy-2-methylphenyl)cyclopentanesulfonamide
CID 105361239
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
3-chloro-2-(cyclohexylsulfonylamino)benzoic acid
CID 107049283
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
3-amino-4-(cyclohexylsulfonylamino)benzoic acid
CID 63117178

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid?
The IUPAC name of 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid (CID 61066174) is 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid?
The InChIKey is RBNSWXUNUBWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-10-7-4-8-11(12(10)13(16)17)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17).
What are the key properties of 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid?
2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 61066174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).