2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide

C21H28N2O4S2 — CID 3130331

IUPAC2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C)CC)ccc1-2
InChIInChI=1S/C21H28N2O4S2/c1-5-14(3)22-28(24,25)18-7-9-20-16(12-18)11-17-13-19(8-10-21(17)20)29(26,27)23-15(4)6-2/h7-10,12-15,22-23H,5-6,11H2,1-4H3
InChIKeyNFLOGLNDPANICS-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.41
Rot. Bonds8

About 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide

2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide (PubChem CID 3130331) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
PubChem CID3130331
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC Name2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C)CC)ccc1-2
InChIInChI=1S/C21H28N2O4S2/c1-5-14(3)22-28(24,25)18-7-9-20-16(12-18)11-17-13-19(8-10-21(17)20)29(26,27)23-15(4)6-2/h7-10,12-15,22-23H,5-6,11H2,1-4H3
InChIKeyNFLOGLNDPANICS-UHFFFAOYSA-N
XLogP3.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[(2R)-butan-2-yl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 90259153
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
disodium;9H-fluorene-2,7-disulfonate
CID 21178460
CID 88515722
CID 88515722
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide (CID 3130331) is 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide is CCC(C)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C)CC)ccc1-2.
What is the InChIKey of 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide?
The InChIKey is NFLOGLNDPANICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-5-14(3)22-28(24,25)18-7-9-20-16(12-18)11-17-13-19(8-10-21(17)20)29(26,27)23-15(4)6-2/h7-10,12-15,22-23H,5-6,11H2,1-4H3.
What are the key properties of 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide?
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide has a molecular weight of 436.60 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 3130331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).