2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide

C20H27N3O2S — CID 55872466

IUPAC2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)c(C)c1
InChIInChI=1S/C20H27N3O2S/c1-15-11-16(2)20(17(3)12-15)26(24,25)22-14-18-7-8-21-19(13-18)23-9-5-4-6-10-23/h7-8,11-13,22H,4-6,9-10,14H2,1-3H3
InChIKeyAGDLIMUCCKGDNJ-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.48
Rot. Bonds5

About 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 55872466) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID55872466
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)c(C)c1
InChIInChI=1S/C20H27N3O2S/c1-15-11-16(2)20(17(3)12-15)26(24,25)22-14-18-7-8-21-19(13-18)23-9-5-4-6-10-23/h7-8,11-13,22H,4-6,9-10,14H2,1-3H3
InChIKeyAGDLIMUCCKGDNJ-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966700
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
CID 55873879
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 47062228
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 55873621
2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 35323775

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 55872466) is 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is AGDLIMUCCKGDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15-11-16(2)20(17(3)12-15)26(24,25)22-14-18-7-8-21-19(13-18)23-9-5-4-6-10-23/h7-8,11-13,22H,4-6,9-10,14H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55872466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).