3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide

C14H13F3N2O3S — CID 167783043

IUPAC3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(-c2cc(S(N)(=O)=O)ccc2C)cnc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O3S/c1-8-3-4-10(23(18,20)21)6-11(8)9-5-12(22-2)13(19-7-9)14(15,16)17/h3-7H,1-2H3,(H2,18,20,21)
InChIKeyLWIPGQBWUIJODA-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.73
Rot. Bonds3

About 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide

3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 167783043) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID167783043
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(-c2cc(S(N)(=O)=O)ccc2C)cnc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O3S/c1-8-3-4-10(23(18,20)21)6-11(8)9-5-12(22-2)13(19-7-9)14(15,16)17/h3-7H,1-2H3,(H2,18,20,21)
InChIKeyLWIPGQBWUIJODA-UHFFFAOYSA-N
XLogP2.73
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451260
4-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451308
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol
CID 175705095
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711
2-chloro-5-methoxy-1-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-1-ium
CID 123245448
4-[2-(4-chloro-3-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10502827
CID 118692692
CID 118692692
1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-5-(3-methoxy-4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 90721478
3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide
CID 167288063
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
CID 170999351

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 167783043) is 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide is COc1cc(-c2cc(S(N)(=O)=O)ccc2C)cnc1C(F)(F)F.
What is the InChIKey of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is LWIPGQBWUIJODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-8-3-4-10(23(18,20)21)6-11(8)9-5-12(22-2)13(19-7-9)14(15,16)17/h3-7H,1-2H3,(H2,18,20,21).
What are the key properties of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 167783043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).