4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

C19H25N3O2S — CID 2747440

IUPAC4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C19H25N3O2S/c1-3-16-4-10-19(11-5-16)25(23,24)20-17-6-8-18(9-7-17)22-14-12-21(2)13-15-22/h4-11,20H,3,12-15H2,1-2H3
InChIKeyWOIWBFMHCCPROZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.80
Rot. Bonds5

About 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 2747440) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID2747440
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C19H25N3O2S/c1-3-16-4-10-19(11-5-16)25(23,24)20-17-6-8-18(9-7-17)22-14-12-21(2)13-15-22/h4-11,20H,3,12-15H2,1-2H3
InChIKeyWOIWBFMHCCPROZ-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 2747440) is 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is WOIWBFMHCCPROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-16-4-10-19(11-5-16)25(23,24)20-17-6-8-18(9-7-17)22-14-12-21(2)13-15-22/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2747440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).