4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide

C15H23N3O3S — CID 119446273

IUPAC4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-12-3-4-13(11-14(12)22(2,20)21)15(19)17-7-10-18-8-5-16-6-9-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19)
InChIKeyHXZNJKOIQKNFNS-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.03
Rot. Bonds5

About 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide

4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119446273) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119446273
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-12-3-4-13(11-14(12)22(2,20)21)15(19)17-7-10-18-8-5-16-6-9-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19)
InChIKeyHXZNJKOIQKNFNS-UHFFFAOYSA-N
XLogP0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 119448829
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-methylsulfonylbenzamide
CID 51117630
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275
4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
CID 119501364
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448751
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide (CID 119446273) is 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCNCC2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is HXZNJKOIQKNFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-3-4-13(11-14(12)22(2,20)21)15(19)17-7-10-18-8-5-16-6-9-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19).
What are the key properties of 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide?
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 325.43 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119446273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).