4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide

C19H26N4O3S — CID 23075878

IUPAC4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccnc2OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H26N4O3S/c1-16-6-8-17(9-7-16)27(24,25)22-18-19(21-11-10-20-18)26-15-5-14-23-12-3-2-4-13-23/h6-11H,2-5,12-15H2,1H3,(H,20,22)
InChIKeyLOYFOEKMJUSZLG-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.84
Rot. Bonds8

About 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide

4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075878) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23075878
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccnc2OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H26N4O3S/c1-16-6-8-17(9-7-16)27(24,25)22-18-19(21-11-10-20-18)26-15-5-14-23-12-3-2-4-13-23/h6-11H,2-5,12-15H2,1H3,(H,20,22)
InChIKeyLOYFOEKMJUSZLG-UHFFFAOYSA-N
XLogP2.84
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 169370607
N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075847
4-methyl-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643099
4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076143
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide
CID 165374146
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371020
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide (CID 23075878) is 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nccnc2OCCCN2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is LOYFOEKMJUSZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-16-6-8-17(9-7-16)27(24,25)22-18-19(21-11-10-20-18)26-15-5-14-23-12-3-2-4-13-23/h6-11H,2-5,12-15H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).