1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one

C26H25ClN4O4S — CID 18382260

IUPAC1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
SMILESCc1nc(-c2ccc(CCC(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)no1
InChIInChI=1S/C26H25ClN4O4S/c1-18-28-26(29-35-18)20-5-2-19(3-6-20)4-11-25(32)30-12-14-31(15-13-30)36(33,34)24-10-8-21-16-23(27)9-7-22(21)17-24/h2-3,5-10,16-17H,4,11-15H2,1H3
InChIKeyRGVFXCOITFAXIV-UHFFFAOYSA-N
MW525.03 g/mol
LogP4.32
Rot. Bonds6

About 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one

1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one (PubChem CID 18382260) has the molecular formula C26H25ClN4O4S and a molecular weight of 525.03 g/mol. Its IUPAC name is 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
PubChem CID18382260
Molecular FormulaC26H25ClN4O4S
Molecular Weight525.03 g/mol
Exact Mass524.13
IUPAC Name1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
SMILESCc1nc(-c2ccc(CCC(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)no1
InChIInChI=1S/C26H25ClN4O4S/c1-18-28-26(29-35-18)20-5-2-19(3-6-20)4-11-25(32)30-12-14-31(15-13-30)36(33,34)24-10-8-21-16-23(27)9-7-22(21)17-24/h2-3,5-10,16-17H,4,11-15H2,1H3
InChIKeyRGVFXCOITFAXIV-UHFFFAOYSA-N
XLogP4.32
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 18382106
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 70269998
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
CID 55602983
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 46489797
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 25497115
4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 55771420
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55867380
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 8639300
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 24554657
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 52687597

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one (CID 18382260) is 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one is Cc1nc(-c2ccc(CCC(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)no1.
What is the InChIKey of 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
The InChIKey is RGVFXCOITFAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4S/c1-18-28-26(29-35-18)20-5-2-19(3-6-20)4-11-25(32)30-12-14-31(15-13-30)36(33,34)24-10-8-21-16-23(27)9-7-22(21)17-24/h2-3,5-10,16-17H,4,11-15H2,1H3.
What are the key properties of 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one?
1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one has a molecular weight of 525.03 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 18382260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).