N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide

C18H25NO3S — CID 12997091

IUPACN,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@@H]3CCCCCC[C@@H]23)cc1
InChIInChI=1S/C18H25NO3S/c1-13-9-11-14(12-10-13)23(21,22)19(2)17-15-7-5-3-4-6-8-16(15)18(17)20/h9-12,15-17H,3-8H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyWLHYBCQUHRPUEM-ZACQAIPSSA-N
MW335.47 g/mol
LogP3.15
Rot. Bonds3

About N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide

N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide (PubChem CID 12997091) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide
PubChem CID12997091
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC NameN,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@@H]3CCCCCC[C@@H]23)cc1
InChIInChI=1S/C18H25NO3S/c1-13-9-11-14(12-10-13)23(21,22)19(2)17-15-7-5-3-4-6-8-16(15)18(17)20/h9-12,15-17H,3-8H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyWLHYBCQUHRPUEM-ZACQAIPSSA-N
XLogP3.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide with MolForge

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Related Compounds

N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide
CID 12995808
N,4-dimethyl-N-[(1S,7R,8S)-9-oxo-8-bicyclo[5.2.0]nonanyl]benzenesulfonamide
CID 12995811
N-[(1S,2R)-2-butyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
CID 12997090
N,4-dimethyl-N-[(1S,6R,7S)-8-oxo-7-bicyclo[4.2.0]oct-4-enyl]benzenesulfonamide
CID 101765038
N,4-dimethyl-N-[(2R)-3-oxo-2-bicyclo[2.2.2]oct-5-enyl]benzenesulfonamide
CID 139254732
N,4-dimethyl-N-[(1S,6R,7S)-8-oxo-7-bicyclo[4.2.0]octanyl]benzenesulfonamide
CID 11001304
N-[(1S,2R,3R)-2,3-dimethyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
CID 11033296
(5R,10R)-6-(4-methylphenyl)sulfonyl-10-prop-2-enyl-6-azaspiro[4.5]decan-4-one
CID 11256529
(3aR,8Z,9aS)-2-(4-methylphenyl)sulfonyl-3,3a,4,6,7,9a-hexahydro-1H-cycloocta[c]pyrrol-5-one
CID 11359085
N,4-dimethyl-N-[(1R,7R,8S)-9-oxo-8-bicyclo[5.2.0]nonanyl]benzenesulfonamide
CID 12995812
(3aS,4E,9aR)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,3a,6,7,9,9a-hexahydro-1H-cycloocta[c]pyrrol-8-one
CID 23629180
(3S,6R,8S)-3-methyl-10-(4-methylphenyl)sulfonyl-10-azatricyclo[6.3.0.03,6]undec-1-en-4-one
CID 24949997

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide (CID 12997091) is N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@@H]3CCCCCC[C@@H]23)cc1.
What is the InChIKey of N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide?
The InChIKey is WLHYBCQUHRPUEM-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-13-9-11-14(12-10-13)23(21,22)19(2)17-15-7-5-3-4-6-8-16(15)18(17)20/h9-12,15-17H,3-8H2,1-2H3/t15-,16-,17+/m1/s1.
What are the key properties of N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide?
N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide is sourced from PubChem (CID 12997091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).