4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

C20H27N3O2S — CID 118527402

IUPAC4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCc2cccnc2)C2CCNCC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-17-6-8-20(9-7-17)26(24,25)23(19-10-13-21-14-11-19)15-3-5-18-4-2-12-22-16-18/h2,4,6-9,12,16,19,21H,3,5,10-11,13-15H2,1H3
InChIKeyQTBXCCNHWZPCTG-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.77
Rot. Bonds7

About 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (PubChem CID 118527402) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
PubChem CID118527402
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCc2cccnc2)C2CCNCC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-17-6-8-20(9-7-17)26(24,25)23(19-10-13-21-14-11-19)15-3-5-18-4-2-12-22-16-18/h2,4,6-9,12,16,19,21H,3,5,10-11,13-15H2,1H3
InChIKeyQTBXCCNHWZPCTG-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055393
4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
CID 70653674
N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 86817906
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
CID 44784866
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 55564950
N-piperidin-4-yl-4-(2-sulfanylpropan-2-yl)-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
CID 134446962
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (CID 118527402) is 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCc2cccnc2)C2CCNCC2)cc1.
What is the InChIKey of 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The InChIKey is QTBXCCNHWZPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-17-6-8-20(9-7-17)26(24,25)23(19-10-13-21-14-11-19)15-3-5-18-4-2-12-22-16-18/h2,4,6-9,12,16,19,21H,3,5,10-11,13-15H2,1H3.
What are the key properties of 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 118527402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).