4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide

C24H25N3O3S — CID 110091936

IUPAC4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)n1
InChIInChI=1S/C24H25N3O3S/c1-17-14-21(18-6-3-2-4-7-18)15-23(26-17)20-8-5-13-27(16-20)24(28)19-9-11-22(12-10-19)31(25,29)30/h2-4,6-7,9-12,14-15,20H,5,8,13,16H2,1H3,(H2,25,29,30)
InChIKeyFSHXLYIIOKMAND-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.72
Rot. Bonds4

About 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide

4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 110091936) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID110091936
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)n1
InChIInChI=1S/C24H25N3O3S/c1-17-14-21(18-6-3-2-4-7-18)15-23(26-17)20-8-5-13-27(16-20)24(28)19-9-11-22(12-10-19)31(25,29)30/h2-4,6-7,9-12,14-15,20H,5,8,13,16H2,1H3,(H2,25,29,30)
InChIKeyFSHXLYIIOKMAND-UHFFFAOYSA-N
XLogP3.72
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124991722
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
5-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 124974066
4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 110216631
3-methyl-2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 124998727
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 125003710
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide (CID 110091936) is 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide is Cc1cc(-c2ccccc2)cc(C2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)n1.
What is the InChIKey of 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is FSHXLYIIOKMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-17-14-21(18-6-3-2-4-7-18)15-23(26-17)20-8-5-13-27(16-20)24(28)19-9-11-22(12-10-19)31(25,29)30/h2-4,6-7,9-12,14-15,20H,5,8,13,16H2,1H3,(H2,25,29,30).
What are the key properties of 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 110091936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).