2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

C15H27Cl2N3O5S — CID 120874621

IUPAC2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCOc1cc(OC)c(S(=O)(=O)NCCN2CCNCC2)c(OC)c1.Cl.Cl
InChIInChI=1S/C15H25N3O5S.2ClH/c1-21-12-10-13(22-2)15(14(11-12)23-3)24(19,20)17-6-9-18-7-4-16-5-8-18;;/h10-11,16-17H,4-9H2,1-3H3;2*1H
InChIKeyCKOKVFNGJNDDQP-UHFFFAOYSA-N
MW432.37 g/mol
LogP0.74
Rot. Bonds8

About 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (PubChem CID 120874621) has the molecular formula C15H27Cl2N3O5S and a molecular weight of 432.37 g/mol. Its IUPAC name is 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
PubChem CID120874621
Molecular FormulaC15H27Cl2N3O5S
Molecular Weight432.37 g/mol
Exact Mass431.10
IUPAC Name2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCOc1cc(OC)c(S(=O)(=O)NCCN2CCNCC2)c(OC)c1.Cl.Cl
InChIInChI=1S/C15H25N3O5S.2ClH/c1-21-12-10-13(22-2)15(14(11-12)23-3)24(19,20)17-6-9-18-7-4-16-5-8-18;;/h10-11,16-17H,4-9H2,1-3H3;2*1H
InChIKeyCKOKVFNGJNDDQP-UHFFFAOYSA-N
XLogP0.74
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994383
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966428
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966429
methyl 3-methoxy-4-(2-piperazin-1-ylethylsulfamoyl)benzoate;dihydrochloride
CID 120707473
2-methoxy-5-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999802
methyl 4-methyl-3-(2-piperazin-1-ylethylsulfamoyl)thiophene-2-carboxylate
CID 120874612
2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
3-methoxy-4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966293
4-methoxy-3-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966675
2,4,6-trimethoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 120876426

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The IUPAC name of 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (CID 120874621) is 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The canonical SMILES for 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is COc1cc(OC)c(S(=O)(=O)NCCN2CCNCC2)c(OC)c1.Cl.Cl.
What is the InChIKey of 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The InChIKey is CKOKVFNGJNDDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S.2ClH/c1-21-12-10-13(22-2)15(14(11-12)23-3)24(19,20)17-6-9-18-7-4-16-5-8-18;;/h10-11,16-17H,4-9H2,1-3H3;2*1H.
What are the key properties of 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride has a molecular weight of 432.37 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 120874621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).