N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide

C23H21NO4S — CID 5040901

IUPACN-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide
SMILESCCC1(C)Oc2ccc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2O1
InChIInChI=1S/C23H21NO4S/c1-3-23(2)27-21-11-8-17(14-22(21)28-23)24-29(25,26)18-9-10-20-16(13-18)12-15-6-4-5-7-19(15)20/h4-11,13-14,24H,3,12H2,1-2H3
InChIKeyQQYKYXGATABSAJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.96
Rot. Bonds4

About N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide

N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide (PubChem CID 5040901) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide
PubChem CID5040901
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide
SMILESCCC1(C)Oc2ccc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2O1
InChIInChI=1S/C23H21NO4S/c1-3-23(2)27-21-11-8-17(14-22(21)28-23)24-29(25,26)18-9-10-20-16(13-18)12-15-6-4-5-7-19(15)20/h4-11,13-14,24H,3,12H2,1-2H3
InChIKeyQQYKYXGATABSAJ-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9H-fluoren-2-yl)-4-fluorobenzenesulfonamide
CID 3457816
N-(9H-fluoren-2-yl)-4-methoxybenzenesulfonamide
CID 3775987
N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
CID 1314014
N-(9H-fluoren-3-yl)-4-fluorobenzenesulfonamide
CID 25331334
2-N,7-N-bis(4-bromophenyl)-9H-fluorene-2,7-disulfonamide
CID 3112211
N-(9H-fluoren-2-yl)-5-methylthiophene-2-sulfonamide
CID 39948680
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide
CID 3128176
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(9H-fluoren-3-yl)-2-fluorobenzenesulfonamide
CID 8516716
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide?
The IUPAC name of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide (CID 5040901) is N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide.
What is the SMILES notation for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide?
The canonical SMILES for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide is CCC1(C)Oc2ccc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2O1.
What is the InChIKey of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide?
The InChIKey is QQYKYXGATABSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-3-23(2)27-21-11-8-17(14-22(21)28-23)24-29(25,26)18-9-10-20-16(13-18)12-15-6-4-5-7-19(15)20/h4-11,13-14,24H,3,12H2,1-2H3.
What are the key properties of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide?
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide has a molecular weight of 407.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-9H-fluorene-2-sulfonamide is sourced from PubChem (CID 5040901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).