4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide

C16H18F3N3O3S — CID 87032884

IUPAC4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2ncccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H18F3N3O3S/c1-11-10-12(25-2)5-6-14(11)26(23,24)22-9-8-21-15-13(16(17,18)19)4-3-7-20-15/h3-7,10,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyNWVBODNNVNBPSG-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.81
Rot. Bonds7

About 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide

4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 87032884) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID87032884
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2ncccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H18F3N3O3S/c1-11-10-12(25-2)5-6-14(11)26(23,24)22-9-8-21-15-13(16(17,18)19)4-3-7-20-15/h3-7,10,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyNWVBODNNVNBPSG-UHFFFAOYSA-N
XLogP2.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
CID 133270380
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55834263
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55728944
4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide
CID 86974941
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 75409343
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 2727185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide (CID 87032884) is 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCNc2ncccc2C(F)(F)F)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is NWVBODNNVNBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-11-10-12(25-2)5-6-14(11)26(23,24)22-9-8-21-15-13(16(17,18)19)4-3-7-20-15/h3-7,10,22H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 87032884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).