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

C14H19NO2S — CID 11878164

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C14H19NO2S/c1-10-2-6-13(7-3-10)18(16,17)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3/t11-,12+,14+/m0/s1
InChIKeyLLFRVFUBIFHUHF-OUCADQQQSA-N
MW265.38 g/mol
LogP2.46
Rot. Bonds3

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

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide (PubChem CID 11878164) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
PubChem CID11878164
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C14H19NO2S/c1-10-2-6-13(7-3-10)18(16,17)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3/t11-,12+,14+/m0/s1
InChIKeyLLFRVFUBIFHUHF-OUCADQQQSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzenesulfonamide
CID 7462489
N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
CID 4297774
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide
CID 27211097
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
CID 7333463
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 7480344

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide (CID 11878164) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide?
The InChIKey is LLFRVFUBIFHUHF-OUCADQQQSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-2-6-13(7-3-10)18(16,17)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3/t11-,12+,14+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 2.46, 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-methylbenzenesulfonamide is sourced from PubChem (CID 11878164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).