N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

C18H23N5O3S — CID 32646466

IUPACN-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5O3S/c1-19-27(25,26)16-5-2-15(3-6-16)4-7-18(24)23-12-10-22(11-13-23)17-14-20-8-9-21-17/h2-3,5-6,8-9,14,19H,4,7,10-13H2,1H3
InChIKeyUIONUWDCMOBELU-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.67
Rot. Bonds6

About N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 32646466) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID32646466
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5O3S/c1-19-27(25,26)16-5-2-15(3-6-16)4-7-18(24)23-12-10-22(11-13-23)17-14-20-8-9-21-17/h2-3,5-6,8-9,14,19H,4,7,10-13H2,1H3
InChIKeyUIONUWDCMOBELU-UHFFFAOYSA-N
XLogP0.67
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide with MolForge

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Related Compounds

4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 55901390
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 6457606
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766
2-(4-methoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42023151
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
1-(4-pyrazin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 32646883
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
CID 91786157
N-methyl-4-[3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 42572717

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide (CID 32646466) is N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is UIONUWDCMOBELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-19-27(25,26)16-5-2-15(3-6-16)4-7-18(24)23-12-10-22(11-13-23)17-14-20-8-9-21-17/h2-3,5-6,8-9,14,19H,4,7,10-13H2,1H3.
What are the key properties of N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide?
N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 32646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).