(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

C17H19BrN2O5S2 — CID 27852671

IUPAC(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)s3)CC2)cc1OC
InChIInChI=1S/C17H19BrN2O5S2/c1-24-13-4-3-12(11-14(13)25-2)27(22,23)20-9-7-19(8-10-20)17(21)15-5-6-16(18)26-15/h3-6,11H,7-10H2,1-2H3
InChIKeyNOUCWIGASWCLOC-UHFFFAOYSA-N
MW475.39 g/mol
LogP2.67
Rot. Bonds5

About (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27852671) has the molecular formula C17H19BrN2O5S2 and a molecular weight of 475.39 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27852671
Molecular FormulaC17H19BrN2O5S2
Molecular Weight475.39 g/mol
Exact Mass473.99
IUPAC Name(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)s3)CC2)cc1OC
InChIInChI=1S/C17H19BrN2O5S2/c1-24-13-4-3-12(11-14(13)25-2)27(22,23)20-9-7-19(8-10-20)17(21)15-5-6-16(18)26-15/h3-6,11H,7-10H2,1-2H3
InChIKeyNOUCWIGASWCLOC-UHFFFAOYSA-N
XLogP2.67
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 26559292
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856
(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27828067
4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 27852627
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2051875
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646197
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9021310
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoic acid
CID 2051859
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoate
CID 2051858
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 6737075
1-[4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796516

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 27852671) is (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)s3)CC2)cc1OC.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is NOUCWIGASWCLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S2/c1-24-13-4-3-12(11-14(13)25-2)27(22,23)20-9-7-19(8-10-20)17(21)15-5-6-16(18)26-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 475.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27852671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).