4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide

C21H23F2NO2S — CID 58344278

IUPAC4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide
SMILESCC1C2CCC1CC(NS(=O)(=O)c1ccc(-c3ccc(F)cc3F)cc1)C2
InChIInChI=1S/C21H23F2NO2S/c1-13-15-2-3-16(13)11-18(10-15)24-27(25,26)19-7-4-14(5-8-19)20-9-6-17(22)12-21(20)23/h4-9,12-13,15-16,18,24H,2-3,10-11H2,1H3
InChIKeyCFKZMOLCSCUOGV-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.73
Rot. Bonds4

About 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide

4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide (PubChem CID 58344278) has the molecular formula C21H23F2NO2S and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide
PubChem CID58344278
Molecular FormulaC21H23F2NO2S
Molecular Weight391.48 g/mol
Exact Mass391.14
IUPAC Name4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide
SMILESCC1C2CCC1CC(NS(=O)(=O)c1ccc(-c3ccc(F)cc3F)cc1)C2
InChIInChI=1S/C21H23F2NO2S/c1-13-15-2-3-16(13)11-18(10-15)24-27(25,26)19-7-4-14(5-8-19)20-9-6-17(22)12-21(20)23/h4-9,12-13,15-16,18,24H,2-3,10-11H2,1H3
InChIKeyCFKZMOLCSCUOGV-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide (CID 58344278) is 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide is CC1C2CCC1CC(NS(=O)(=O)c1ccc(-c3ccc(F)cc3F)cc1)C2.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide?
The InChIKey is CFKZMOLCSCUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2S/c1-13-15-2-3-16(13)11-18(10-15)24-27(25,26)19-7-4-14(5-8-19)20-9-6-17(22)12-21(20)23/h4-9,12-13,15-16,18,24H,2-3,10-11H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide?
4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide has a molecular weight of 391.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide is sourced from PubChem (CID 58344278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).