N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide

C15H21N5O3S — CID 120960375

IUPACN-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCN1CCNCC1c1noc(CN(C)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H21N5O3S/c1-19-9-8-16-10-13(19)15-17-14(23-18-15)11-20(2)24(21,22)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyLBXXUJYZTXTNDD-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.47
Rot. Bonds5

About N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide

N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 120960375) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID120960375
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCN1CCNCC1c1noc(CN(C)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H21N5O3S/c1-19-9-8-16-10-13(19)15-17-14(23-18-15)11-20(2)24(21,22)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyLBXXUJYZTXTNDD-UHFFFAOYSA-N
XLogP0.47
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120957693
1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 120958533
N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120960636
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
5-[(2-ethylphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960641
3-(1-methylpiperazin-2-yl)-5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 120960405
5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958883
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 120956268
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 120960375) is N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is CN1CCNCC1c1noc(CN(C)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is LBXXUJYZTXTNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-19-9-8-16-10-13(19)15-17-14(23-18-15)11-20(2)24(21,22)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 120960375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).