N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide

C20H27N3O2S — CID 47090107

IUPACN,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-17-6-8-20(9-7-17)26(24,25)22(2)19-11-15-23(16-12-19)14-10-18-5-3-4-13-21-18/h3-9,13,19H,10-12,14-16H2,1-2H3
InChIKeyDKLPYTRDMBPNGF-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.72
Rot. Bonds6

About N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide

N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 47090107) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID47090107
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-17-6-8-20(9-7-17)26(24,25)22(2)19-11-15-23(16-12-19)14-10-18-5-3-4-13-21-18/h3-9,13,19H,10-12,14-16H2,1-2H3
InChIKeyDKLPYTRDMBPNGF-UHFFFAOYSA-N
XLogP2.72
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 24732077
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
4-[4-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]sulfonylphenyl]benzonitrile
CID 24730995
1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
CID 96567368
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732380
N-cyclohex-2-en-1-yl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 71976779
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide (CID 47090107) is N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1.
What is the InChIKey of N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is DKLPYTRDMBPNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-17-6-8-20(9-7-17)26(24,25)22(2)19-11-15-23(16-12-19)14-10-18-5-3-4-13-21-18/h3-9,13,19H,10-12,14-16H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide?
N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 47090107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).