4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide

C17H28N2O4S2 — CID 3226861

IUPAC4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C17H28N2O4S2/c1-5-18(6-2)24(20,21)16-10-12-17(13-11-16)25(22,23)19-14(3)8-7-9-15(19)4/h10-15H,5-9H2,1-4H3
InChIKeyVOMAXTBUFOVQAG-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.67
Rot. Bonds6

About 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide

4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide (PubChem CID 3226861) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
PubChem CID3226861
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C17H28N2O4S2/c1-5-18(6-2)24(20,21)16-10-12-17(13-11-16)25(22,23)19-14(3)8-7-9-15(19)4/h10-15H,5-9H2,1-4H3
InChIKeyVOMAXTBUFOVQAG-UHFFFAOYSA-N
XLogP2.67
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
CID 3226867
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanol
CID 104969055
2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168513063
ethyl 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 1460101
(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide (CID 3226861) is 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide?
The InChIKey is VOMAXTBUFOVQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-5-18(6-2)24(20,21)16-10-12-17(13-11-16)25(22,23)19-14(3)8-7-9-15(19)4/h10-15H,5-9H2,1-4H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide?
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide has a molecular weight of 388.56 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 3226861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).