N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide

C12H16F3NO2S2 — CID 47425286

IUPACN-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2S2/c1-4-11(2,3)16-20(17,18)10-7-5-9(6-8-10)19-12(13,14)15/h5-8,16H,4H2,1-3H3
InChIKeyPRDMOIXLIZJLIP-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.77
Rot. Bonds5

About N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide

N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide (PubChem CID 47425286) has the molecular formula C12H16F3NO2S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
PubChem CID47425286
Molecular FormulaC12H16F3NO2S2
Molecular Weight327.39 g/mol
Exact Mass327.06
IUPAC NameN-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2S2/c1-4-11(2,3)16-20(17,18)10-7-5-9(6-8-10)19-12(13,14)15/h5-8,16H,4H2,1-3H3
InChIKeyPRDMOIXLIZJLIP-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
N-[2-(ethylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973962
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
N-[2-(methylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973372
N-[3-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119965107
N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120665053
N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120824647
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 106031454
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031479
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide (CID 47425286) is N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
The InChIKey is PRDMOIXLIZJLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S2/c1-4-11(2,3)16-20(17,18)10-7-5-9(6-8-10)19-12(13,14)15/h5-8,16H,4H2,1-3H3.
What are the key properties of N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide?
N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide has a molecular weight of 327.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 47425286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).