N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide

C15H19NO3S — CID 12995808

IUPACN,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H19NO3S/c1-10-6-8-11(9-7-10)20(18,19)16(2)14-12-4-3-5-13(12)15(14)17/h6-9,12-14H,3-5H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyJUDFJKTTWRLMTN-RDBSUJKOSA-N
MW293.39 g/mol
LogP1.98
Rot. Bonds3

About N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide

N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide (PubChem CID 12995808) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide
PubChem CID12995808
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H19NO3S/c1-10-6-8-11(9-7-10)20(18,19)16(2)14-12-4-3-5-13(12)15(14)17/h6-9,12-14H,3-5H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyJUDFJKTTWRLMTN-RDBSUJKOSA-N
XLogP1.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-1-[(4-methylphenyl)sulfonyl]azetidin-3-one
CID 550954
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
(5S)-1-(4-methylphenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
CID 101583393
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
1-[1-(4-Methylphenyl)sulfonylpyrrolidin-2-yl]ethanone
CID 12643844
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
N,4-dimethyl-N-[(1R,7R,8S)-9-oxo-8-bicyclo[5.2.0]nonanyl]benzenesulfonamide
CID 12995812
N,4-dimethyl-N-[(1R,8R,9S)-10-oxo-9-bicyclo[6.2.0]decanyl]benzenesulfonamide
CID 12997091

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide (CID 12995808) is N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H]3CCC[C@H]32)cc1.
What is the InChIKey of N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide?
The InChIKey is JUDFJKTTWRLMTN-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10-6-8-11(9-7-10)20(18,19)16(2)14-12-4-3-5-13(12)15(14)17/h6-9,12-14H,3-5H2,1-2H3/t12-,13+,14+/m1/s1.
What are the key properties of N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide?
N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.98, 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-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide is sourced from PubChem (CID 12995808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).