N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide

C17H22N4O2S — CID 901951

IUPACN-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H22N4O2S/c1-14-4-3-5-15(12-14)20-8-10-21(11-9-20)16-6-7-19-13-17(16)24(22,23)18-2/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeyNYORUPMMRYPOFV-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.62
Rot. Bonds4

About N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide

N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 901951) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID901951
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H22N4O2S/c1-14-4-3-5-15(12-14)20-8-10-21(11-9-20)16-6-7-19-13-17(16)24(22,23)18-2/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeyNYORUPMMRYPOFV-UHFFFAOYSA-N
XLogP1.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 901951) is N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide is CNS(=O)(=O)c1cnccc1N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is NYORUPMMRYPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-14-4-3-5-15(12-14)20-8-10-21(11-9-20)16-6-7-19-13-17(16)24(22,23)18-2/h3-7,12-13,18H,8-11H2,1-2H3.
What are the key properties of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 901951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).