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

C15H15ClN2O4S — CID 1147944

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H15ClN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h1-6,11H,7-10H2
InChIKeyBXRIJNFJSWTNQJ-UHFFFAOYSA-N
MW354.81 g/mol
LogP2.08
Rot. Bonds3

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

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1147944) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.81 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1147944
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.81 g/mol
Exact Mass354.04
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H15ClN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h1-6,11H,7-10H2
InChIKeyBXRIJNFJSWTNQJ-UHFFFAOYSA-N
XLogP2.08
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
Furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777476
1-(4-chlorobenzenesulfonyl)-N-((furan-2-yl)methyl)piperidine-4-carboxamide
CID 1042562
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
N1-(2-furylmethyl)-N1-(3-hydrazino-3-oxopropyl)-4-chlorobenzene-1-sulfonamide
CID 2822910
4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CID 1295876
1-[(4-Butylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 3554017
4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2822938
2-(4-Chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 1094227
1-(2-Furoyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 2167092
2-(4-Chloro-benzenesulfonylamino)-N-[(4-fluoro-benzylcarbamoyl)-methyl]-N-furan-2-ylmethyl-acetamide
CID 648457

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 1147944) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is BXRIJNFJSWTNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h1-6,11H,7-10H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 354.81 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1147944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).