3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

C21H29N3O4S — CID 42960746

IUPAC3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H29N3O4S/c1-17(23-11-13-24(14-12-23)18-7-5-4-6-8-18)16-22-29(25,26)19-9-10-20(27-2)21(15-19)28-3/h4-10,15,17,22H,11-14,16H2,1-3H3
InChIKeyYZIPHRVQHNFGTR-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.19
Rot. Bonds8

About 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 42960746) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID42960746
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H29N3O4S/c1-17(23-11-13-24(14-12-23)18-7-5-4-6-8-18)16-22-29(25,26)19-9-10-20(27-2)21(15-19)28-3/h4-10,15,17,22H,11-14,16H2,1-3H3
InChIKeyYZIPHRVQHNFGTR-UHFFFAOYSA-N
XLogP2.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
4-methyl-3-nitro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 46452675
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 39663609
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
3-methyl-N-(2-methylpropyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 2983724
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (CID 42960746) is 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is YZIPHRVQHNFGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-17(23-11-13-24(14-12-23)18-7-5-4-6-8-18)16-22-29(25,26)19-9-10-20(27-2)21(15-19)28-3/h4-10,15,17,22H,11-14,16H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 42960746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).