[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone

C20H20BrClN2O3S — CID 55521560

IUPAC[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrClN2O3S/c21-16-6-4-15(5-7-16)20(8-9-20)19(25)23-10-12-24(13-11-23)28(26,27)18-3-1-2-17(22)14-18/h1-7,14H,8-13H2
InChIKeyNPMQMTDHPXLZEG-UHFFFAOYSA-N
MW483.82 g/mol
LogP3.67
Rot. Bonds4

About [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone

[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55521560) has the molecular formula C20H20BrClN2O3S and a molecular weight of 483.82 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID55521560
Molecular FormulaC20H20BrClN2O3S
Molecular Weight483.82 g/mol
Exact Mass482.01
IUPAC Name[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrClN2O3S/c21-16-6-4-15(5-7-16)20(8-9-20)19(25)23-10-12-24(13-11-23)28(26,27)18-3-1-2-17(22)14-18/h1-7,14H,8-13H2
InChIKeyNPMQMTDHPXLZEG-UHFFFAOYSA-N
XLogP3.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.82
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27163262
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(4-bromophenyl)cyclopropyl]methanone
CID 55520605
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol
CID 23765903
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9326993

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 55521560) is [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is NPMQMTDHPXLZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O3S/c21-16-6-4-15(5-7-16)20(8-9-20)19(25)23-10-12-24(13-11-23)28(26,27)18-3-1-2-17(22)14-18/h1-7,14H,8-13H2.
What are the key properties of [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 483.82 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55521560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).