(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide

C18H21ClN4O3S — CID 97348630

IUPAC(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
SMILESCN(Cc1cnccn1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C18H21ClN4O3S/c1-22(12-16-11-20-7-8-21-16)27(25,26)17-6-3-9-23(13-17)18(24)14-4-2-5-15(19)10-14/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3/t17-/m1/s1
InChIKeyNKXNUOYPKRAMMY-QGZVFWFLSA-N
MW408.91 g/mol
LogP2.20
Rot. Bonds5

About (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide

(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide (PubChem CID 97348630) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
PubChem CID97348630
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC Name(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
SMILESCN(Cc1cnccn1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C18H21ClN4O3S/c1-22(12-16-11-20-7-8-21-16)27(25,26)17-6-3-9-23(13-17)18(24)14-4-2-5-15(19)10-14/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3/t17-/m1/s1
InChIKeyNKXNUOYPKRAMMY-QGZVFWFLSA-N
XLogP2.20
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide 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

1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
CID 75476075
N-methyl-3-(2-methylpyrrolidine-1-carbonyl)-N-(pyrazin-2-ylmethyl)benzenesulfonamide
CID 74232256
(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
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
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-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide?
The IUPAC name of (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide (CID 97348630) is (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide?
The canonical SMILES for (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide is CN(Cc1cnccn1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide?
The InChIKey is NKXNUOYPKRAMMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-22(12-16-11-20-7-8-21-16)27(25,26)17-6-3-9-23(13-17)18(24)14-4-2-5-15(19)10-14/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide?
(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide has a molecular weight of 408.91 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide is sourced from PubChem (CID 97348630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).