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

C16H17ClN2O5S — CID 1256647

IUPAC[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17ClN2O5S/c1-23-13-5-4-12(17)11-15(13)25(21,22)19-8-6-18(7-9-19)16(20)14-3-2-10-24-14/h2-5,10-11H,6-9H2,1H3
InChIKeyIDWPMAWYDWLURP-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.09
Rot. Bonds4

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

[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1256647) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1256647
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17ClN2O5S/c1-23-13-5-4-12(17)11-15(13)25(21,22)19-8-6-18(7-9-19)16(20)14-3-2-10-24-14/h2-5,10-11H,6-9H2,1H3
InChIKeyIDWPMAWYDWLURP-UHFFFAOYSA-N
XLogP2.09
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 1256647) is [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is IDWPMAWYDWLURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-23-13-5-4-12(17)11-15(13)25(21,22)19-8-6-18(7-9-19)16(20)14-3-2-10-24-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 384.84 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1256647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).