2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide

C21H28N2O6S2 — CID 1154512

IUPAC2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C)(C)CO)ccc1-2
InChIInChI=1S/C21H28N2O6S2/c1-20(2,12-24)22-30(26,27)16-5-7-18-14(10-16)9-15-11-17(6-8-19(15)18)31(28,29)23-21(3,4)13-25/h5-8,10-11,22-25H,9,12-13H2,1-4H3
InChIKeyNCXGXMUEXZFCMP-UHFFFAOYSA-N
MW468.60 g/mol
LogP1.36
Rot. Bonds8

About 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide

2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide (PubChem CID 1154512) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
PubChem CID1154512
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C)(C)CO)ccc1-2
InChIInChI=1S/C21H28N2O6S2/c1-20(2,12-24)22-30(26,27)16-5-7-18-14(10-16)9-15-11-17(6-8-19(15)18)31(28,29)23-21(3,4)13-25/h5-8,10-11,22-25H,9,12-13H2,1-4H3
InChIKeyNCXGXMUEXZFCMP-UHFFFAOYSA-N
XLogP1.36
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide 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

N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 39388201
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
CID 654673
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666
disodium;9H-fluorene-2,7-disulfonate
CID 21178460
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81438341
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzenesulfonamide
CID 43416599
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide (CID 1154512) is 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide is CC(C)(CO)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C)(C)CO)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide?
The InChIKey is NCXGXMUEXZFCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-20(2,12-24)22-30(26,27)16-5-7-18-14(10-16)9-15-11-17(6-8-19(15)18)31(28,29)23-21(3,4)13-25/h5-8,10-11,22-25H,9,12-13H2,1-4H3.
What are the key properties of 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide?
2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide has a molecular weight of 468.60 g/mol, XLogP of 1.36, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 1154512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).