3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one

C31H28N4O9S2 — CID 171977750

IUPAC3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
SMILESO=C1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2-c2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C31H28N4O9S2/c36-29-23-7-5-21(45(39,40)34-13-9-32(10-14-34)30(37)27-3-1-17-43-27)19-25(23)26-20-22(6-8-24(26)29)46(41,42)35-15-11-33(12-16-35)31(38)28-4-2-18-44-28/h1-8,17-20H,9-16H2
InChIKeyRCILNIUHDZXBCE-UHFFFAOYSA-N
MW664.72 g/mol
LogP2.38
Rot. Bonds6

About 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one

3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one (PubChem CID 171977750) has the molecular formula C31H28N4O9S2 and a molecular weight of 664.72 g/mol. Its IUPAC name is 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one.

Molecular Properties

Compound Name3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
PubChem CID171977750
Molecular FormulaC31H28N4O9S2
Molecular Weight664.72 g/mol
Exact Mass664.13
IUPAC Name3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
SMILESO=C1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2-c2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C31H28N4O9S2/c36-29-23-7-5-21(45(39,40)34-13-9-32(10-14-34)30(37)27-3-1-17-43-27)19-25(23)26-20-22(6-8-24(26)29)46(41,42)35-15-11-33(12-16-35)31(38)28-4-2-18-44-28/h1-8,17-20H,9-16H2
InChIKeyRCILNIUHDZXBCE-UHFFFAOYSA-N
XLogP2.38
TPSA158.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 51177952
[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 119041461
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
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
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 56578801
[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 17426410
[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 55823789
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527643
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one?
The IUPAC name of 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one (CID 171977750) is 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one.
What is the SMILES notation for 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one?
The canonical SMILES for 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one is O=C1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2-c2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21.
What is the InChIKey of 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one?
The InChIKey is RCILNIUHDZXBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O9S2/c36-29-23-7-5-21(45(39,40)34-13-9-32(10-14-34)30(37)27-3-1-17-43-27)19-25(23)26-20-22(6-8-24(26)29)46(41,42)35-15-11-33(12-16-35)31(38)28-4-2-18-44-28/h1-8,17-20H,9-16H2.
What are the key properties of 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one?
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one has a molecular weight of 664.72 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one is sourced from PubChem (CID 171977750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).