N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide

C17H19F2NO2S — CID 3314659

IUPACN-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO2S/c1-4-17(2,3)12-5-8-14(9-6-12)23(21,22)20-16-10-7-13(18)11-15(16)19/h5-11,20H,4H2,1-3H3
InChIKeyWBGWJCPPWRZMTO-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.45
Rot. Bonds5

About N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide

N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 3314659) has the molecular formula C17H19F2NO2S and a molecular weight of 339.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID3314659
Molecular FormulaC17H19F2NO2S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC NameN-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO2S/c1-4-17(2,3)12-5-8-14(9-6-12)23(21,22)20-16-10-7-13(18)11-15(16)19/h5-11,20H,4H2,1-3H3
InChIKeyWBGWJCPPWRZMTO-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
CID 2730339
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
CID 109057942
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454
N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 3328350
4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
3-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 59180411
(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride
CID 119707038
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 3314659) is N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is WBGWJCPPWRZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2S/c1-4-17(2,3)12-5-8-14(9-6-12)23(21,22)20-16-10-7-13(18)11-15(16)19/h5-11,20H,4H2,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3314659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).