[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone

C16H21ClN2O4S — CID 110818768

IUPAC[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H21ClN2O4S/c1-23-14-6-5-13(17)11-15(14)24(21,22)19-9-7-18(8-10-19)16(20)12-3-2-4-12/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyYJRKBHDYEKIGEP-UHFFFAOYSA-N
MW372.87 g/mol
LogP1.98
Rot. Bonds4

About [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone

[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone (PubChem CID 110818768) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
PubChem CID110818768
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC Name[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H21ClN2O4S/c1-23-14-6-5-13(17)11-15(14)24(21,22)19-9-7-18(8-10-19)16(20)12-3-2-4-12/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyYJRKBHDYEKIGEP-UHFFFAOYSA-N
XLogP1.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 6458860
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347022
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 120705100
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55556402
[4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797098
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 2986070

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone (CID 110818768) is [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The InChIKey is YJRKBHDYEKIGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-23-14-6-5-13(17)11-15(14)24(21,22)19-9-7-18(8-10-19)16(20)12-3-2-4-12/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone?
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone has a molecular weight of 372.87 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 110818768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).