3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide

C16H17F3N2O4S — CID 10293752

IUPAC3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide
SMILESCN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O4S/c1-21(2)10-11-9-14(26(20,22)23)7-8-15(11)24-12-3-5-13(6-4-12)25-16(17,18)19/h3-9H,10H2,1-2H3,(H2,20,22,23)
InChIKeyBKZBLBKUEHCXOL-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.09
Rot. Bonds6

About 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide

3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide (PubChem CID 10293752) has the molecular formula C16H17F3N2O4S and a molecular weight of 390.38 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide
PubChem CID10293752
Molecular FormulaC16H17F3N2O4S
Molecular Weight390.38 g/mol
Exact Mass390.09
IUPAC Name3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide
SMILESCN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O4S/c1-21(2)10-11-9-14(26(20,22)23)7-8-15(11)24-12-3-5-13(6-4-12)25-16(17,18)19/h3-9H,10H2,1-2H3,(H2,20,22,23)
InChIKeyBKZBLBKUEHCXOL-UHFFFAOYSA-N
XLogP3.09
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide?
The IUPAC name of 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide (CID 10293752) is 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide is CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide?
The InChIKey is BKZBLBKUEHCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S/c1-21(2)10-11-9-14(26(20,22)23)7-8-15(11)24-12-3-5-13(6-4-12)25-16(17,18)19/h3-9H,10H2,1-2H3,(H2,20,22,23).
What are the key properties of 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide?
3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide has a molecular weight of 390.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]benzenesulfonamide is sourced from PubChem (CID 10293752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).