[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone

C15H15BrN2O4S2 — CID 112766465

IUPAC[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H15BrN2O4S2/c16-13-5-6-14(23-13)24(21,22)18-9-7-17(8-10-18)15(20)11-1-3-12(19)4-2-11/h1-6,19H,7-10H2
InChIKeySYYLZKXEWONUIV-UHFFFAOYSA-N
MW431.33 g/mol
LogP2.36
Rot. Bonds3

About [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone

[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 112766465) has the molecular formula C15H15BrN2O4S2 and a molecular weight of 431.33 g/mol. Its IUPAC name is [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID112766465
Molecular FormulaC15H15BrN2O4S2
Molecular Weight431.33 g/mol
Exact Mass429.97
IUPAC Name[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H15BrN2O4S2/c16-13-5-6-14(23-13)24(21,22)18-9-7-17(8-10-18)15(20)11-1-3-12(19)4-2-11/h1-6,19H,7-10H2
InChIKeySYYLZKXEWONUIV-UHFFFAOYSA-N
XLogP2.36
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone (CID 112766465) is [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is SYYLZKXEWONUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S2/c16-13-5-6-14(23-13)24(21,22)18-9-7-17(8-10-18)15(20)11-1-3-12(19)4-2-11/h1-6,19H,7-10H2.
What are the key properties of [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone?
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 431.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 112766465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).