N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide

C21H19F2NO2S — CID 3464514

IUPACN-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2NO2S/c22-20-12-11-18(15-21(20)23)27(25,26)24-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19,24H,13-14H2
InChIKeyKAZRGNMEJLBJRR-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.47
Rot. Bonds7

About N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide

N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide (PubChem CID 3464514) has the molecular formula C21H19F2NO2S and a molecular weight of 387.45 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
PubChem CID3464514
Molecular FormulaC21H19F2NO2S
Molecular Weight387.45 g/mol
Exact Mass387.11
IUPAC NameN-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2NO2S/c22-20-12-11-18(15-21(20)23)27(25,26)24-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19,24H,13-14H2
InChIKeyKAZRGNMEJLBJRR-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
N-(3-bromo-4-methoxybutyl)-3,4-difluorobenzenesulfonamide
CID 114163474
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide (CID 3464514) is N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is KAZRGNMEJLBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2S/c22-20-12-11-18(15-21(20)23)27(25,26)24-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19,24H,13-14H2.
What are the key properties of N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide?
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3464514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).