N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide

C20H17F3N2O4S — CID 90017788

IUPACN-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C20H17F3N2O4S/c1-25-12-13(7-10-19(25)26)15-11-14(24-30(2,27)28)8-9-17(15)29-18-6-4-3-5-16(18)20(21,22)23/h3-12,24H,1-2H3
InChIKeySFLSCCUPTRZBAC-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.23
Rot. Bonds5

About N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide

N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide (PubChem CID 90017788) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
PubChem CID90017788
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC NameN-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C20H17F3N2O4S/c1-25-12-13(7-10-19(25)26)15-11-14(24-30(2,27)28)8-9-17(15)29-18-6-4-3-5-16(18)20(21,22)23/h3-12,24H,1-2H3
InChIKeySFLSCCUPTRZBAC-UHFFFAOYSA-N
XLogP4.23
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide
CID 90032034
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
N-[4-(2-chloro-4-fluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]methanesulfonamide
CID 171350072
N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 3734435
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide
CID 139341837
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140942
4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 71617223
N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
CID 11232768
N-[3-(4-chloro-3-fluorophenyl)-4-methoxyphenyl]methanesulfonamide
CID 68620057
N-[4-(2,4-difluorophenoxy)-3-[4-(furan-2-yl)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 72551225
4-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 118022423

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide (CID 90017788) is N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide is Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C(F)(F)F)ccc1=O.
What is the InChIKey of N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The InChIKey is SFLSCCUPTRZBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-25-12-13(7-10-19(25)26)15-11-14(24-30(2,27)28)8-9-17(15)29-18-6-4-3-5-16(18)20(21,22)23/h3-12,24H,1-2H3.
What are the key properties of N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide has a molecular weight of 438.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 90017788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).