1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide

C19H22ClN3O3S — CID 75476075

IUPAC1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClN3O3S/c1-22(13-15-7-9-21-10-8-15)27(25,26)18-6-3-11-23(14-18)19(24)16-4-2-5-17(20)12-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
InChIKeyAUWLYNRPXPIETI-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.80
Rot. Bonds5

About 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide

1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide (PubChem CID 75476075) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
PubChem CID75476075
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClN3O3S/c1-22(13-15-7-9-21-10-8-15)27(25,26)18-6-3-11-23(14-18)19(24)16-4-2-5-17(20)12-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
InChIKeyAUWLYNRPXPIETI-UHFFFAOYSA-N
XLogP2.80
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
CID 97348630
(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone
CID 75476059
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
CID 75474606
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
CID 97348392
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
(3-chlorophenyl)-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863924
1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
CID 146086773
N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
CID 67319655

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide (CID 75476075) is 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide is CN(Cc1ccncc1)S(=O)(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide?
The InChIKey is AUWLYNRPXPIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-22(13-15-7-9-21-10-8-15)27(25,26)18-6-3-11-23(14-18)19(24)16-4-2-5-17(20)12-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3.
What are the key properties of 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide?
1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide has a molecular weight of 407.92 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide is sourced from PubChem (CID 75476075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).