N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide

C16H19F3N2O3S — CID 47037692

IUPACN,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C16H19F3N2O3S/c1-20(2)25(22,23)15-9-8-14(24-15)11-21(3)10-12-4-6-13(7-5-12)16(17,18)19/h4-9H,10-11H2,1-3H3
InChIKeyZNYSBZVFJXIGAK-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.18
Rot. Bonds6

About N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide

N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide (PubChem CID 47037692) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide
PubChem CID47037692
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C16H19F3N2O3S/c1-20(2)25(22,23)15-9-8-14(24-15)11-21(3)10-12-4-6-13(7-5-12)16(17,18)19/h4-9H,10-11H2,1-3H3
InChIKeyZNYSBZVFJXIGAK-UHFFFAOYSA-N
XLogP3.18
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide (CID 47037692) is N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide is CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide?
The InChIKey is ZNYSBZVFJXIGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-20(2)25(22,23)15-9-8-14(24-15)11-21(3)10-12-4-6-13(7-5-12)16(17,18)19/h4-9H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide has a molecular weight of 376.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 47037692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).