N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide

C14H18FNO2S — CID 98112507

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18FNO2S/c15-13-5-2-10(3-6-13)9-19(17,18)16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14,16H,1,4,7-9H2/t11-,12-,14-/m1/s1
InChIKeyQZIGIEYTRZFZSC-YRGRVCCFSA-N
MW283.37 g/mol
LogP2.43
Rot. Bonds4

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 98112507) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID98112507
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18FNO2S/c15-13-5-2-10(3-6-13)9-19(17,18)16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14,16H,1,4,7-9H2/t11-,12-,14-/m1/s1
InChIKeyQZIGIEYTRZFZSC-YRGRVCCFSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide with MolForge

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide
CID 98442845
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide
CID 27211097
N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43597025
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
CID 27210550
N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119986199
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 95196113
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide (CID 98112507) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is QZIGIEYTRZFZSC-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-13-5-2-10(3-6-13)9-19(17,18)16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14,16H,1,4,7-9H2/t11-,12-,14-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 98112507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).