N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

C17H19F3N2O4S2 — CID 24502292

IUPACN,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C17H19F3N2O4S2/c1-11-9-13(28(25,26)22(3)4)10-15(12(11)2)21-27(23,24)16-8-6-5-7-14(16)17(18,19)20/h5-10,21H,1-4H3
InChIKeyRHTWEZKWSLVZFT-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.37
Rot. Bonds5

About N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 24502292) has the molecular formula C17H19F3N2O4S2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID24502292
Molecular FormulaC17H19F3N2O4S2
Molecular Weight436.48 g/mol
Exact Mass436.07
IUPAC NameN,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C17H19F3N2O4S2/c1-11-9-13(28(25,26)22(3)4)10-15(12(11)2)21-27(23,24)16-8-6-5-7-14(16)17(18,19)20/h5-10,21H,1-4H3
InChIKeyRHTWEZKWSLVZFT-UHFFFAOYSA-N
XLogP3.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6,7,8-tetrahydro-1-naphthalenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 990876
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
3,4-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 3606713
N-[3-(aminosulfonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2812469
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 5183850
N-(2,3-Dimethylphenyl)-4-methylbenzenesulfonamide
CID 361279
N-[3,5-bis(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804590
1-N-(2,3-dimethylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 17479785
3-amino-4-methyl-N-(3-methylphenyl)benzene-1-sulfonamide
CID 3777319
3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4583533
3-amino-N,N-diethyl-4,5-dimethylbenzene-1-sulfonamide
CID 4962712
3-amino-N,N,4,5-tetramethylbenzene-1-sulfonamide
CID 4962713

Frequently Asked Questions

What is the IUPAC name of N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (CID 24502292) is N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1C.
What is the InChIKey of N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is RHTWEZKWSLVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4S2/c1-11-9-13(28(25,26)22(3)4)10-15(12(11)2)21-27(23,24)16-8-6-5-7-14(16)17(18,19)20/h5-10,21H,1-4H3.
What are the key properties of N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 436.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 24502292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).