N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide

C18H22F3N3O4S — CID 134258555

IUPACN-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCN(C)C)c(OC(F)(F)F)c2)cn(C)c1=O
InChIInChI=1S/C18H22F3N3O4S/c1-12-9-14(11-24(4)17(12)25)13-5-6-16(15(10-13)28-18(19,20)21)29(26,27)22-7-8-23(2)3/h5-6,9-11,22H,7-8H2,1-4H3
InChIKeyWQJBRLKHRYLUJM-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.10
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 134258555) has the molecular formula C18H22F3N3O4S and a molecular weight of 433.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID134258555
Molecular FormulaC18H22F3N3O4S
Molecular Weight433.45 g/mol
Exact Mass433.13
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCN(C)C)c(OC(F)(F)F)c2)cn(C)c1=O
InChIInChI=1S/C18H22F3N3O4S/c1-12-9-14(11-24(4)17(12)25)13-5-6-16(15(10-13)28-18(19,20)21)29(26,27)22-7-8-23(2)3/h5-6,9-11,22H,7-8H2,1-4H3
InChIKeyWQJBRLKHRYLUJM-UHFFFAOYSA-N
XLogP2.10
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)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 N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 134258555) is N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCCN(C)C)c(OC(F)(F)F)c2)cn(C)c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WQJBRLKHRYLUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O4S/c1-12-9-14(11-24(4)17(12)25)13-5-6-16(15(10-13)28-18(19,20)21)29(26,27)22-7-8-23(2)3/h5-6,9-11,22H,7-8H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 433.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 134258555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).