2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C20H27N3O4S — CID 42267350

IUPAC2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H27N3O4S/c1-26-18-8-9-19(27-2)20(16-18)28(24,25)21-10-11-22-12-14-23(15-13-22)17-6-4-3-5-7-17/h3-9,16,21H,10-15H2,1-2H3
InChIKeyHRQGDKBEOPFBQP-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.80
Rot. Bonds8

About 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 42267350) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID42267350
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H27N3O4S/c1-26-18-8-9-19(27-2)20(16-18)28(24,25)21-10-11-22-12-14-23(15-13-22)17-6-4-3-5-7-17/h3-9,16,21H,10-15H2,1-2H3
InChIKeyHRQGDKBEOPFBQP-UHFFFAOYSA-N
XLogP1.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 42267582
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 42267714
2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide
CID 70458180
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42267769
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 20936585
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 42267593
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 42267350) is 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is HRQGDKBEOPFBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-26-18-8-9-19(27-2)20(16-18)28(24,25)21-10-11-22-12-14-23(15-13-22)17-6-4-3-5-7-17/h3-9,16,21H,10-15H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42267350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).