4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C20H27N3O4S2 — CID 3226853

IUPAC4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C20H27N3O4S2/c1-16-4-3-5-17(2)23(16)29(26,27)20-8-6-19(7-9-20)28(24,25)22-15-12-18-10-13-21-14-11-18/h6-11,13-14,16-17,22H,3-5,12,15H2,1-2H3
InChIKeyAAYBGVSEAPIDAV-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.55
Rot. Bonds7

About 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 3226853) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID3226853
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C20H27N3O4S2/c1-16-4-3-5-17(2)23(16)29(26,27)20-8-6-19(7-9-20)28(24,25)22-15-12-18-10-13-21-14-11-18/h6-11,13-14,16-17,22H,3-5,12,15H2,1-2H3
InChIKeyAAYBGVSEAPIDAV-UHFFFAOYSA-N
XLogP2.55
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2R)-2-[2-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 9823280
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
BM-960102
CID 819349
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 24884859
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-[4-(piperidinosulfonyl)phenyl]-N'-(4-pyridylmethyl)thiourea
CID 2803101

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 3226853) is 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is AAYBGVSEAPIDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-16-4-3-5-17(2)23(16)29(26,27)20-8-6-19(7-9-20)28(24,25)22-15-12-18-10-13-21-14-11-18/h6-11,13-14,16-17,22H,3-5,12,15H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 437.59 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3226853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).