2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C15H19ClN4O4S — CID 110395649

IUPAC2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nnc(C)o2)CC1
InChIInChI=1S/C15H19ClN4O4S/c1-11-17-18-15(24-11)10-19-5-7-20(8-6-19)25(21,22)14-9-12(16)3-4-13(14)23-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXLQCDSBIRANFIP-UHFFFAOYSA-N
MW386.86 g/mol
LogP1.55
Rot. Bonds5

About 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 110395649) has the molecular formula C15H19ClN4O4S and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID110395649
Molecular FormulaC15H19ClN4O4S
Molecular Weight386.86 g/mol
Exact Mass386.08
IUPAC Name2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nnc(C)o2)CC1
InChIInChI=1S/C15H19ClN4O4S/c1-11-17-18-15(24-11)10-19-5-7-20(8-6-19)25(21,22)14-9-12(16)3-4-13(14)23-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXLQCDSBIRANFIP-UHFFFAOYSA-N
XLogP1.55
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053502
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 8804176
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 3866989
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060951
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
2-methyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8692277
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419116
2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830745

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 110395649) is 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nnc(C)o2)CC1.
What is the InChIKey of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is XLQCDSBIRANFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O4S/c1-11-17-18-15(24-11)10-19-5-7-20(8-6-19)25(21,22)14-9-12(16)3-4-13(14)23-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 386.86 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110395649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).