N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide

C19H25FN2O4S2 — CID 75435489

IUPACN-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1F
InChIInChI=1S/C19H25FN2O4S2/c1-4-12-27(23,24)21-18-11-10-16(13-17(18)20)28(25,26)22-19-14(5-2)8-7-9-15(19)6-3/h7-11,13,21-22H,4-6,12H2,1-3H3
InChIKeyXMUHORJHOXGAEN-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.90
Rot. Bonds9

About N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide

N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide (PubChem CID 75435489) has the molecular formula C19H25FN2O4S2 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
PubChem CID75435489
Molecular FormulaC19H25FN2O4S2
Molecular Weight428.55 g/mol
Exact Mass428.12
IUPAC NameN-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1F
InChIInChI=1S/C19H25FN2O4S2/c1-4-12-27(23,24)21-18-11-10-16(13-17(18)20)28(25,26)22-19-14(5-2)8-7-9-15(19)6-3/h7-11,13,21-22H,4-6,12H2,1-3H3
InChIKeyXMUHORJHOXGAEN-UHFFFAOYSA-N
XLogP3.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893361
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride
CID 120664769
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 1252577
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
CID 54944840
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide (CID 75435489) is N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide is CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1F.
What is the InChIKey of N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
The InChIKey is XMUHORJHOXGAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4S2/c1-4-12-27(23,24)21-18-11-10-16(13-17(18)20)28(25,26)22-19-14(5-2)8-7-9-15(19)6-3/h7-11,13,21-22H,4-6,12H2,1-3H3.
What are the key properties of N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide?
N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 75435489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).