2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide

C15H25N3O2S — CID 64979148

IUPAC2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
SMILESCCC1CN(c2ccccc2S(=O)(=O)NC)C(CC)CN1
InChIInChI=1S/C15H25N3O2S/c1-4-12-11-18(13(5-2)10-17-12)14-8-6-7-9-15(14)21(19,20)16-3/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyNSQFNECQHFJEFI-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.56
Rot. Bonds5

About 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide

2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 64979148) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
PubChem CID64979148
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
SMILESCCC1CN(c2ccccc2S(=O)(=O)NC)C(CC)CN1
InChIInChI=1S/C15H25N3O2S/c1-4-12-11-18(13(5-2)10-17-12)14-8-6-7-9-15(14)21(19,20)16-3/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyNSQFNECQHFJEFI-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine
CID 64930411
N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
CID 103353710
1-(3-chloro-2-nitrophenyl)-2,5-diethylpiperazine
CID 104839384
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64933723
2,5-diethyl-N-methylpiperazine-1-sulfonamide
CID 114810900
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63855104
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide (CID 64979148) is 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide is CCC1CN(c2ccccc2S(=O)(=O)NC)C(CC)CN1.
What is the InChIKey of 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is NSQFNECQHFJEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-12-11-18(13(5-2)10-17-12)14-8-6-7-9-15(14)21(19,20)16-3/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64979148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).