4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide

C12H19N3O2S — CID 3322927

IUPAC4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C12H19N3O2S/c1-11-3-5-12(6-4-11)18(16,17)13-15-9-7-14(2)8-10-15/h3-6,13H,7-10H2,1-2H3
InChIKeyPQGQDKKMWVIXAX-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.44
Rot. Bonds3

About 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide

4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 3322927) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID3322927
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C12H19N3O2S/c1-11-3-5-12(6-4-11)18(16,17)13-15-9-7-14(2)8-10-15/h3-6,13H,7-10H2,1-2H3
InChIKeyPQGQDKKMWVIXAX-UHFFFAOYSA-N
XLogP0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 3322927) is 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is PQGQDKKMWVIXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-11-3-5-12(6-4-11)18(16,17)13-15-9-7-14(2)8-10-15/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 3322927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).