4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide

C15H25N3O2S — CID 786538

IUPAC4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CN2CCNCC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-13-4-6-14(7-5-13)21(19,20)17-15(2,3)12-18-10-8-16-9-11-18/h4-7,16-17H,8-12H2,1-3H3
InChIKeyFXHDZHGJOHMISQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.96
Rot. Bonds5

About 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide

4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 786538) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID786538
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CN2CCNCC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-13-4-6-14(7-5-13)21(19,20)17-15(2,3)12-18-10-8-16-9-11-18/h4-7,16-17H,8-12H2,1-3H3
InChIKeyFXHDZHGJOHMISQ-UHFFFAOYSA-N
XLogP0.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide (CID 786538) is 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCNCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is FXHDZHGJOHMISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13-4-6-14(7-5-13)21(19,20)17-15(2,3)12-18-10-8-16-9-11-18/h4-7,16-17H,8-12H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 786538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).