N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide

C24H32N2O4S2 — CID 51716707

IUPACN-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H32N2O4S2/c1-19-8-5-6-12-24(19)25-31(27,28)22-13-15-23(16-14-22)32(29,30)26-17-7-11-21(18-26)20-9-3-2-4-10-20/h2-4,9-10,13-16,19,21,24-25H,5-8,11-12,17-18H2,1H3/t19-,21+,24-/m1/s1
InChIKeyLNSJAZRZPVZHJP-NHCICSSKSA-N
MW476.66 g/mol
LogP4.11
Rot. Bonds6

About N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide

N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 51716707) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID51716707
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H32N2O4S2/c1-19-8-5-6-12-24(19)25-31(27,28)22-13-15-23(16-14-22)32(29,30)26-17-7-11-21(18-26)20-9-3-2-4-10-20/h2-4,9-10,13-16,19,21,24-25H,5-8,11-12,17-18H2,1H3/t19-,21+,24-/m1/s1
InChIKeyLNSJAZRZPVZHJP-NHCICSSKSA-N
XLogP4.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide with MolForge

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
N-[(2S)-butan-2-yl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51413813
N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686303
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
methyl 4-(3-phenylazepan-1-yl)sulfonylbenzoate
CID 90608691
N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 25044263
N,N-diethyl-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686308
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
CID 62133605
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide (CID 51716707) is N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide is C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is LNSJAZRZPVZHJP-NHCICSSKSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-19-8-5-6-12-24(19)25-31(27,28)22-13-15-23(16-14-22)32(29,30)26-17-7-11-21(18-26)20-9-3-2-4-10-20/h2-4,9-10,13-16,19,21,24-25H,5-8,11-12,17-18H2,1H3/t19-,21+,24-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 476.66 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 51716707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).