1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C16H23ClN2O4S — CID 110817215

IUPAC1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-4-16(20)18-7-9-19(10-8-18)24(21,22)13-5-6-15(14(17)11-13)23-12(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyAYZVXDAFIQQPBO-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 110817215) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID110817215
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-4-16(20)18-7-9-19(10-8-18)24(21,22)13-5-6-15(14(17)11-13)23-12(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyAYZVXDAFIQQPBO-UHFFFAOYSA-N
XLogP2.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
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4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
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1-[4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
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1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
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(3-chloro-4-propan-2-yloxyphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 110804683
1-[4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796516
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 138531816
(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 97251654
1-[4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817356
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 110817215) is 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is AYZVXDAFIQQPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-4-16(20)18-7-9-19(10-8-18)24(21,22)13-5-6-15(14(17)11-13)23-12(2)3/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 374.89 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 110817215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).