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

C15H21NO2S — CID 27210550

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H21NO2S/c1-11-4-2-3-5-14(11)10-19(17,18)16-15-9-12-6-7-13(15)8-12/h2-5,12-13,15-16H,6-10H2,1H3/t12-,13+,15+/m0/s1
InChIKeyLGKRHTKXQBSWSV-GZBFAFLISA-N
MW279.40 g/mol
LogP2.60
Rot. Bonds4

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

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 27210550) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID27210550
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H21NO2S/c1-11-4-2-3-5-14(11)10-19(17,18)16-15-9-12-6-7-13(15)8-12/h2-5,12-13,15-16H,6-10H2,1H3/t12-,13+,15+/m0/s1
InChIKeyLGKRHTKXQBSWSV-GZBFAFLISA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.60
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]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide (CID 27210550) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is LGKRHTKXQBSWSV-GZBFAFLISA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-4-2-3-5-14(11)10-19(17,18)16-15-9-12-6-7-13(15)8-12/h2-5,12-13,15-16H,6-10H2,1H3/t12-,13+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 2.60, 4 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]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 27210550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).