N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide

C19H21NO3S — CID 15529713

IUPACN-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCC[C@]2(C=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-9-11-17(12-10-15)24(22,23)20-18-8-5-13-19(18,14-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18,20H,5,8,13H2,1H3/t18-,19-/m0/s1
InChIKeyRLUIRYFOZWSXNE-OALUTQOASA-N
MW343.45 g/mol
LogP2.96
Rot. Bonds5

About N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide (PubChem CID 15529713) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide
PubChem CID15529713
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCC[C@]2(C=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-9-11-17(12-10-15)24(22,23)20-18-8-5-13-19(18,14-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18,20H,5,8,13H2,1H3/t18-,19-/m0/s1
InChIKeyRLUIRYFOZWSXNE-OALUTQOASA-N
XLogP2.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
CID 15529692
4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
CID 134926580
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
CID 134984235
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
CID 101495725
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide (CID 15529713) is N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@]2(C=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide?
The InChIKey is RLUIRYFOZWSXNE-OALUTQOASA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-9-11-17(12-10-15)24(22,23)20-18-8-5-13-19(18,14-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18,20H,5,8,13H2,1H3/t18-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15529713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).