4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide

C15H24N4O3S — CID 68546178

IUPAC4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
SMILESCS(=O)(=O)Nc1cccc(N2CCN(CCCC(N)=O)CC2)c1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)17-13-4-2-5-14(12-13)19-10-8-18(9-11-19)7-3-6-15(16)20/h2,4-5,12,17H,3,6-11H2,1H3,(H2,16,20)
InChIKeyXBZSONVHYQOTIH-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.45
Rot. Bonds7

About 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide

4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide (PubChem CID 68546178) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide.

Molecular Properties

Compound Name4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
PubChem CID68546178
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
SMILESCS(=O)(=O)Nc1cccc(N2CCN(CCCC(N)=O)CC2)c1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)17-13-4-2-5-14(12-13)19-10-8-18(9-11-19)7-3-6-15(16)20/h2,4-5,12,17H,3,6-11H2,1H3,(H2,16,20)
InChIKeyXBZSONVHYQOTIH-UHFFFAOYSA-N
XLogP0.45
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
6-fluoro-N-[4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178309
N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
CID 90656676
N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
CID 142930531
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 173143971
N-[3-[4-[4-(1-hydroxy-3-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]phenyl]ethanesulfonamide
CID 54150941
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene
CID 142930555
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide?
The IUPAC name of 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide (CID 68546178) is 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide.
What is the SMILES notation for 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide?
The canonical SMILES for 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide is CS(=O)(=O)Nc1cccc(N2CCN(CCCC(N)=O)CC2)c1.
What is the InChIKey of 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide?
The InChIKey is XBZSONVHYQOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-23(21,22)17-13-4-2-5-14(12-13)19-10-8-18(9-11-19)7-3-6-15(16)20/h2,4-5,12,17H,3,6-11H2,1H3,(H2,16,20).
What are the key properties of 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide?
4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide has a molecular weight of 340.45 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide is sourced from PubChem (CID 68546178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).