3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole

C15H18ClN3O3S — CID 110422436

IUPAC3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)no1
InChIInChI=1S/C15H18ClN3O3S/c1-11-3-4-13(10-14(11)16)23(20,21)19-7-5-18(6-8-19)15-9-12(2)22-17-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIPLMMJDNOWLMCD-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.46
Rot. Bonds3

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

3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole (PubChem CID 110422436) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
PubChem CID110422436
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)no1
InChIInChI=1S/C15H18ClN3O3S/c1-11-3-4-13(10-14(11)16)23(20,21)19-7-5-18(6-8-19)15-9-12(2)22-17-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIPLMMJDNOWLMCD-UHFFFAOYSA-N
XLogP2.46
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110645928
3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110645929
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)pyrimidine
CID 122345617
4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337415
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 110646847
4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896378
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole (CID 110422436) is 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole is Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)no1.
What is the InChIKey of 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The InChIKey is IPLMMJDNOWLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-11-3-4-13(10-14(11)16)23(20,21)19-7-5-18(6-8-19)15-9-12(2)22-17-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole has a molecular weight of 355.85 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 110422436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).