[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone

C15H19BrN2O4S — CID 9116113

IUPAC[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1Br
InChIInChI=1S/C15H19BrN2O4S/c1-22-14-5-4-12(10-13(14)16)23(20,21)18-8-6-17(7-9-18)15(19)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyJZLPVIBGGUGENP-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.70
Rot. Bonds4

About [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone

[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone (PubChem CID 9116113) has the molecular formula C15H19BrN2O4S and a molecular weight of 403.30 g/mol. Its IUPAC name is [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
PubChem CID9116113
Molecular FormulaC15H19BrN2O4S
Molecular Weight403.30 g/mol
Exact Mass402.02
IUPAC Name[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1Br
InChIInChI=1S/C15H19BrN2O4S/c1-22-14-5-4-12(10-13(14)16)23(20,21)18-8-6-17(7-9-18)15(19)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyJZLPVIBGGUGENP-UHFFFAOYSA-N
XLogP1.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
Cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 858314
[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 4880520
Cyclopropyl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8406758
Cyclobutyl 4-[(4-methoxyphenyl)sulfonyl]piperazinyl ketone
CID 2671235
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidine
CID 846306
1-(3-Bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine
CID 2454487
4-(3-Bromo-4-methoxyphenyl)sulfonylpiperazin-2-one
CID 2555070
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 807886
1-{4-[(4-Methoxyphenyl)sulfonyl]piperazinyl}propan-1-one
CID 858313

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone (CID 9116113) is [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1Br.
What is the InChIKey of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The InChIKey is JZLPVIBGGUGENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4S/c1-22-14-5-4-12(10-13(14)16)23(20,21)18-8-6-17(7-9-18)15(19)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone has a molecular weight of 403.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 9116113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).