[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C19H17ClN2O4S — CID 3264511

IUPAC[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc3cccc(Cl)c23)CC1
InChIInChI=1S/C19H17ClN2O4S/c20-15-6-1-4-14-5-2-8-17(18(14)15)27(24,25)22-11-9-21(10-12-22)19(23)16-7-3-13-26-16/h1-8,13H,9-12H2
InChIKeyOGEJBBOWYAZAFE-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.23
Rot. Bonds3

About [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 3264511) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID3264511
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc3cccc(Cl)c23)CC1
InChIInChI=1S/C19H17ClN2O4S/c20-15-6-1-4-14-5-2-8-17(18(14)15)27(24,25)22-11-9-21(10-12-22)19(23)16-7-3-13-26-16/h1-8,13H,9-12H2
InChIKeyOGEJBBOWYAZAFE-UHFFFAOYSA-N
XLogP3.23
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 119041461
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 16822023
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 56578801
N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9239660
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
CID 46397260
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924

Frequently Asked Questions

What is the IUPAC name of [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 3264511) is [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc3cccc(Cl)c23)CC1.
What is the InChIKey of [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OGEJBBOWYAZAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c20-15-6-1-4-14-5-2-8-17(18(14)15)27(24,25)22-11-9-21(10-12-22)19(23)16-7-3-13-26-16/h1-8,13H,9-12H2.
What are the key properties of [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 404.88 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3264511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).