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

C12H16N4O2S — CID 78909293

IUPAC4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C12H16N4O2S/c1-15-6-8-16(9-7-15)14-19(17,18)12-4-2-11(10-13)3-5-12/h2-5,14H,6-9H2,1H3
InChIKeyBEBNFPFEGKUXDH-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.00
Rot. Bonds3

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

4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 78909293) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID78909293
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C12H16N4O2S/c1-15-6-8-16(9-7-15)14-19(17,18)12-4-2-11(10-13)3-5-12/h2-5,14H,6-9H2,1H3
InChIKeyBEBNFPFEGKUXDH-UHFFFAOYSA-N
XLogP-0.00
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 78909293) is 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide is CN1CCN(NS(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is BEBNFPFEGKUXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15-6-8-16(9-7-15)14-19(17,18)12-4-2-11(10-13)3-5-12/h2-5,14H,6-9H2,1H3.
What are the key properties of 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 78909293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).