2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one

C24H28N2O5S2 — CID 2802043

IUPAC2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C24H28N2O5S2/c27-24-22-16-18(32(28,29)25-12-4-1-2-5-13-25)8-10-20(22)21-11-9-19(17-23(21)24)33(30,31)26-14-6-3-7-15-26/h8-11,16-17H,1-7,12-15H2
InChIKeyPNCMTDIWKKZYFL-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.64
Rot. Bonds4

About 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one

2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one (PubChem CID 2802043) has the molecular formula C24H28N2O5S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one.

Molecular Properties

Compound Name2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
PubChem CID2802043
Molecular FormulaC24H28N2O5S2
Molecular Weight488.63 g/mol
Exact Mass488.14
IUPAC Name2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C24H28N2O5S2/c27-24-22-16-18(32(28,29)25-12-4-1-2-5-13-25)8-10-20(22)21-11-9-19(17-23(21)24)33(30,31)26-14-6-3-7-15-26/h8-11,16-17H,1-7,12-15H2
InChIKeyPNCMTDIWKKZYFL-UHFFFAOYSA-N
XLogP3.64
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
CID 1137411
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
CID 135154329
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
2-(4-methylpiperazin-4-ium-1-yl)sulfonylanthracene-9,10-dione
CID 7074376
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
nickel(2+);4-piperidin-1-ylsulfonylbenzene-1,2-dithiol
CID 18781712
5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
CID 15575181
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one?
The IUPAC name of 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one (CID 2802043) is 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one.
What is the SMILES notation for 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one?
The canonical SMILES for 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one is O=C1c2cc(S(=O)(=O)N3CCCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21.
What is the InChIKey of 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one?
The InChIKey is PNCMTDIWKKZYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S2/c27-24-22-16-18(32(28,29)25-12-4-1-2-5-13-25)8-10-20(22)21-11-9-19(17-23(21)24)33(30,31)26-14-6-3-7-15-26/h8-11,16-17H,1-7,12-15H2.
What are the key properties of 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one?
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one has a molecular weight of 488.63 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one is sourced from PubChem (CID 2802043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).