N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide

C13H16FNO2S — CID 1232507

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2S/c14-11-3-5-12(6-4-11)18(16,17)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10+,13+/m0/s1
InChIKeyNQEORJVUEWDOPR-OPQQBVKSSA-N
MW269.34 g/mol
LogP2.29
Rot. Bonds3

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide (PubChem CID 1232507) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide
PubChem CID1232507
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2S/c14-11-3-5-12(6-4-11)18(16,17)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10+,13+/m0/s1
InChIKeyNQEORJVUEWDOPR-OPQQBVKSSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide (CID 1232507) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide is O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide?
The InChIKey is NQEORJVUEWDOPR-OPQQBVKSSA-N. The full InChI is InChI=1S/C13H16FNO2S/c14-11-3-5-12(6-4-11)18(16,17)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2/t9-,10+,13+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide has a molecular weight of 269.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 1232507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).