4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C17H22N4O2S — CID 121108282

IUPAC4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-14-2-4-16(5-3-14)24(22,23)20-12-15-6-10-21(11-7-15)17-13-18-8-9-19-17/h2-5,8-9,13,15,20H,6-7,10-12H2,1H3
InChIKeyDGYCOPFYONQHNQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.98
Rot. Bonds5

About 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 121108282) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID121108282
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-14-2-4-16(5-3-14)24(22,23)20-12-15-6-10-21(11-7-15)17-13-18-8-9-19-17/h2-5,8-9,13,15,20H,6-7,10-12H2,1H3
InChIKeyDGYCOPFYONQHNQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 121108282) is 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is DGYCOPFYONQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-14-2-4-16(5-3-14)24(22,23)20-12-15-6-10-21(11-7-15)17-13-18-8-9-19-17/h2-5,8-9,13,15,20H,6-7,10-12H2,1H3.
What are the key properties of 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121108282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).