N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide

C19H24N2O4S2 — CID 51686303

IUPACN,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-20(2)26(22,23)18-10-12-19(13-11-18)27(24,25)21-14-6-9-17(15-21)16-7-4-3-5-8-16/h3-5,7-8,10-13,17H,6,9,14-15H2,1-2H3/t17-/m1/s1
InChIKeyVDSGGGIYQYFIRO-QGZVFWFLSA-N
MW408.55 g/mol
LogP2.51
Rot. Bonds5

About N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide

N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 51686303) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID51686303
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-20(2)26(22,23)18-10-12-19(13-11-18)27(24,25)21-14-6-9-17(15-21)16-7-4-3-5-8-16/h3-5,7-8,10-13,17H,6,9,14-15H2,1-2H3/t17-/m1/s1
InChIKeyVDSGGGIYQYFIRO-QGZVFWFLSA-N
XLogP2.51
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686308
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
N-[(2S)-butan-2-yl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51413813
N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51716707
N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide
CID 99931342
methyl 4-(3-phenylazepan-1-yl)sulfonylbenzoate
CID 90608691
4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
CID 62133605
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922
N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 859979
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 1456757

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide (CID 51686303) is N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is VDSGGGIYQYFIRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-20(2)26(22,23)18-10-12-19(13-11-18)27(24,25)21-14-6-9-17(15-21)16-7-4-3-5-8-16/h3-5,7-8,10-13,17H,6,9,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide?
N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 51686303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).