2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine

C29H28N2O6S2 — CID 141344326

IUPAC2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine
SMILESNC(COc1ccc2c(c1OCC(N)S(=O)(=O)c1ccccc1)Cc1ccccc1-2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H28N2O6S2/c30-27(38(32,33)21-10-3-1-4-11-21)18-36-26-16-15-24-23-14-8-7-9-20(23)17-25(24)29(26)37-19-28(31)39(34,35)22-12-5-2-6-13-22/h1-16,27-28H,17-19,30-31H2
InChIKeySAIQDJSFMMJOBH-UHFFFAOYSA-N
MW564.69 g/mol
LogP3.53
Rot. Bonds10

About 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine

2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine (PubChem CID 141344326) has the molecular formula C29H28N2O6S2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine.

Molecular Properties

Compound Name2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine
PubChem CID141344326
Molecular FormulaC29H28N2O6S2
Molecular Weight564.69 g/mol
Exact Mass564.14
IUPAC Name2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine
SMILESNC(COc1ccc2c(c1OCC(N)S(=O)(=O)c1ccccc1)Cc1ccccc1-2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H28N2O6S2/c30-27(38(32,33)21-10-3-1-4-11-21)18-36-26-16-15-24-23-14-8-7-9-20(23)17-25(24)29(26)37-19-28(31)39(34,35)22-12-5-2-6-13-22/h1-16,27-28H,17-19,30-31H2
InChIKeySAIQDJSFMMJOBH-UHFFFAOYSA-N
XLogP3.53
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine with MolForge

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Related Compounds

1,2-dibutoxy-9H-fluorene;9H-fluorene
CID 158569964
2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride
CID 141137663
3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine
CID 174662912
4-[[7-[4-amino-2-(benzenesulfonyl)butoxy]-9H-fluoren-2-yl]oxy]-3-(benzenesulfonyl)butan-1-amine
CID 71146971
1-(2-ethenylbut-3-enoxy)-9H-fluorene
CID 68787919
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
1-ethoxy-9H-fluoren-2-ol
CID 174692103
8-[[1-(8-aminopyren-1-yl)oxy-9H-fluoren-2-yl]oxy]pyren-1-amine
CID 141303702
(1-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate
CID 135397828
2-(2-phenoxy-9H-fluoren-1-yl)ethanol
CID 175802941
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-ethoxy-1-naphthalen-1-yl-9H-fluorene
CID 91339111

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine?
The IUPAC name of 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine (CID 141344326) is 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine.
What is the SMILES notation for 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine?
The canonical SMILES for 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine is NC(COc1ccc2c(c1OCC(N)S(=O)(=O)c1ccccc1)Cc1ccccc1-2)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine?
The InChIKey is SAIQDJSFMMJOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O6S2/c30-27(38(32,33)21-10-3-1-4-11-21)18-36-26-16-15-24-23-14-8-7-9-20(23)17-25(24)29(26)37-19-28(31)39(34,35)22-12-5-2-6-13-22/h1-16,27-28H,17-19,30-31H2.
What are the key properties of 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine?
2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine has a molecular weight of 564.69 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine is sourced from PubChem (CID 141344326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).