N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide

C14H19N3O3S — CID 166406112

IUPACN-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
SMILESC=CC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1
InChIInChI=1S/C14H19N3O3S/c1-3-14(18)17-10-8-16(9-11-17)12-6-4-5-7-13(12)21(19,20)15-2/h3-7,15H,1,8-11H2,2H3
InChIKeyPSASQVGYONOOLX-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.43
Rot. Bonds4

About N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide

N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide (PubChem CID 166406112) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
PubChem CID166406112
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
SMILESC=CC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1
InChIInChI=1S/C14H19N3O3S/c1-3-14(18)17-10-8-16(9-11-17)12-6-4-5-7-13(12)21(19,20)15-2/h3-7,15H,1,8-11H2,2H3
InChIKeyPSASQVGYONOOLX-UHFFFAOYSA-N
XLogP0.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 120848242
N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
CID 75369355
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049
2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide
CID 86886071
4-methyl-1-[2-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid
CID 63719639
2-(4-acetylpiperazin-1-yl)benzenesulfonamide
CID 166232580
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
N-methyl-2-[4-(4,4,4-trifluoro-2-hydroxybutyl)piperazin-1-yl]benzenesulfonamide
CID 119044725
2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133410073
N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 120848238
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide (CID 166406112) is N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide is C=CC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1.
What is the InChIKey of N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is PSASQVGYONOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-14(18)17-10-8-16(9-11-17)12-6-4-5-7-13(12)21(19,20)15-2/h3-7,15H,1,8-11H2,2H3.
What are the key properties of N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide?
N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 166406112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).