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

C14H19ClN2O4S — CID 110665618

IUPAC1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(C)=O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-11(18)10-16-5-7-17(8-6-16)22(19,20)12-3-4-14(21-2)13(15)9-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHXHDZPZVYFGNRT-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.24
Rot. Bonds5

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

1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one (PubChem CID 110665618) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
PubChem CID110665618
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(C)=O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-11(18)10-16-5-7-17(8-6-16)22(19,20)12-3-4-14(21-2)13(15)9-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHXHDZPZVYFGNRT-UHFFFAOYSA-N
XLogP1.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817644
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-2-one
CID 110665602
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3244475
2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 16644901
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
CID 155705982
[4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797098
1-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 3674711

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one (CID 110665618) is 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one is COc1ccc(S(=O)(=O)N2CCN(CC(C)=O)CC2)cc1Cl.
What is the InChIKey of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one?
The InChIKey is HXHDZPZVYFGNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-11(18)10-16-5-7-17(8-6-16)22(19,20)12-3-4-14(21-2)13(15)9-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one?
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one has a molecular weight of 346.84 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one is sourced from PubChem (CID 110665618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).