[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone

C16H17ClN2O4S — CID 2230064

IUPAC[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H17ClN2O4S/c17-14-5-3-13(4-6-14)12-24(21,22)19-9-7-18(8-10-19)16(20)15-2-1-11-23-15/h1-6,11H,7-10,12H2
InChIKeyFWVGHNSSHPIUKI-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.22
Rot. Bonds4

About [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 2230064) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID2230064
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H17ClN2O4S/c17-14-5-3-13(4-6-14)12-24(21,22)19-9-7-18(8-10-19)16(20)15-2-1-11-23-15/h1-6,11H,7-10,12H2
InChIKeyFWVGHNSSHPIUKI-UHFFFAOYSA-N
XLogP2.22
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 2230064) is [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is FWVGHNSSHPIUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c17-14-5-3-13(4-6-14)12-24(21,22)19-9-7-18(8-10-19)16(20)15-2-1-11-23-15/h1-6,11H,7-10,12H2.
What are the key properties of [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 368.84 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 2230064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).