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

C20H27N3O2S — CID 2738591

IUPAC4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H27N3O2S/c1-3-17-6-10-20(11-7-17)26(24,25)21-16-18-4-8-19(9-5-18)23-14-12-22(2)13-15-23/h4-11,21H,3,12-16H2,1-2H3
InChIKeyLHSXGUFTSODHOR-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.48
Rot. Bonds6

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

4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 2738591) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID2738591
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H27N3O2S/c1-3-17-6-10-20(11-7-17)26(24,25)21-16-18-4-8-19(9-5-18)23-14-12-22(2)13-15-23/h4-11,21H,3,12-16H2,1-2H3
InChIKeyLHSXGUFTSODHOR-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
N-Phenyl-P-toluenesulfonanilide
CID 316053
N,4-Dimethyl-N-phenylbenzenesulfonamide
CID 220023
Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
Caldaret
CID 6433076
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 1041738
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
CID 45380179
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (CID 2738591) is 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is LHSXGUFTSODHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-17-6-10-20(11-7-17)26(24,25)21-16-18-4-8-19(9-5-18)23-14-12-22(2)13-15-23/h4-11,21H,3,12-16H2,1-2H3.
What are the key properties of 4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
4-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.48, 6 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]methyl]benzenesulfonamide is sourced from PubChem (CID 2738591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).