4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide

C16H19ClN4O2S — CID 4118683

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-18-24(22,23)16-12-19-6-5-15(16)21-9-7-20(8-10-21)14-4-2-3-13(17)11-14/h2-6,11-12,18H,7-10H2,1H3
InChIKeyVUQVRKXWDPCAAN-UHFFFAOYSA-N
MW366.87 g/mol
LogP1.97
Rot. Bonds4

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 4118683) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID4118683
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-18-24(22,23)16-12-19-6-5-15(16)21-9-7-20(8-10-21)14-4-2-3-13(17)11-14/h2-6,11-12,18H,7-10H2,1H3
InChIKeyVUQVRKXWDPCAAN-UHFFFAOYSA-N
XLogP1.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide (CID 4118683) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is VUQVRKXWDPCAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-18-24(22,23)16-12-19-6-5-15(16)21-9-7-20(8-10-21)14-4-2-3-13(17)11-14/h2-6,11-12,18H,7-10H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 366.87 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 4118683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).