2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide

C18H19F3N2O4S — CID 35185568

IUPAC2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-17(2,3)16(24)22-12-8-10-13(11-9-12)23-28(25,26)15-7-5-4-6-14(15)27-18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyYWLGCZZGFHKFSA-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.37
Rot. Bonds5

About 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide

2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 35185568) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
PubChem CID35185568
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-17(2,3)16(24)22-12-8-10-13(11-9-12)23-28(25,26)15-7-5-4-6-14(15)27-18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyYWLGCZZGFHKFSA-UHFFFAOYSA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 78836615

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide (CID 35185568) is 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is YWLGCZZGFHKFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-17(2,3)16(24)22-12-8-10-13(11-9-12)23-28(25,26)15-7-5-4-6-14(15)27-18(19,20)21/h4-11,23H,1-3H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide?
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 416.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 35185568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).