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

C15H21NO2S — CID 27211097

IUPACN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H21NO2S/c1-11-2-4-12(5-3-11)10-19(17,18)16-15-9-13-6-7-14(15)8-13/h2-5,13-16H,6-10H2,1H3/t13-,14+,15-/m0/s1
InChIKeyVJUSZRVDHCCCAR-ZNMIVQPWSA-N
MW279.40 g/mol
LogP2.60
Rot. Bonds4

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

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 27211097) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID27211097
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H21NO2S/c1-11-2-4-12(5-3-11)10-19(17,18)16-15-9-13-6-7-14(15)8-13/h2-5,13-16H,6-10H2,1H3/t13-,14+,15-/m0/s1
InChIKeyVJUSZRVDHCCCAR-ZNMIVQPWSA-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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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide
CID 98442845
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
CID 98112507
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
CID 27210550
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(methylsulfonylmethyl)phenyl]thiourea
CID 98786916
N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
CID 4297774
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 124834503
N-(2-bicyclo[2.2.2]octanyl)-1-bromomethanesulfonamide
CID 131113866
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2968026

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide (CID 27211097) is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is VJUSZRVDHCCCAR-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-2-4-12(5-3-11)10-19(17,18)16-15-9-13-6-7-14(15)8-13/h2-5,13-16H,6-10H2,1H3/t13-,14+,15-/m0/s1.
What are the key properties of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide?
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-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,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 27211097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).