2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C21H29N3O2S — CID 42267382

IUPAC2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H29N3O2S/c1-17-15-18(2)21(19(3)16-17)27(25,26)22-9-10-23-11-13-24(14-12-23)20-7-5-4-6-8-20/h4-8,15-16,22H,9-14H2,1-3H3
InChIKeyCLULGLFUJMAFHE-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.71
Rot. Bonds6

About 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 42267382) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID42267382
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H29N3O2S/c1-17-15-18(2)21(19(3)16-17)27(25,26)22-9-10-23-11-13-24(14-12-23)20-7-5-4-6-8-20/h4-8,15-16,22H,9-14H2,1-3H3
InChIKeyCLULGLFUJMAFHE-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42267676
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 40774908
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 78792145
4-ethoxy-3,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389225

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 42267382) is 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is CLULGLFUJMAFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-17-15-18(2)21(19(3)16-17)27(25,26)22-9-10-23-11-13-24(14-12-23)20-7-5-4-6-8-20/h4-8,15-16,22H,9-14H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42267382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).