N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide

C15H16F2N2O3S — CID 87120808

IUPACN-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)F
InChIInChI=1S/C15H16F2N2O3S/c1-10-5-6-18-8-13(10)12-4-3-11(19-23(2,20)21)7-14(12)22-9-15(16)17/h3-8,15,19H,9H2,1-2H3
InChIKeySNRWNQXAUHGQCA-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.07
Rot. Bonds6

About N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide

N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide (PubChem CID 87120808) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide
PubChem CID87120808
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC NameN-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide
SMILESCc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)F
InChIInChI=1S/C15H16F2N2O3S/c1-10-5-6-18-8-13(10)12-4-3-11(19-23(2,20)21)7-14(12)22-9-15(16)17/h3-8,15,19H,9H2,1-2H3
InChIKeySNRWNQXAUHGQCA-UHFFFAOYSA-N
XLogP3.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 66714010
N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide
CID 56651977
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95326792
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714005
N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride
CID 88584101
N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]-3-sulfanylidenecyclohexa-1,5-diene-1-sulfonamide
CID 122506051
4-(2,2-difluoroethoxy)-N,3-dimethylaniline
CID 157201816
N-[3-methyl-4-(4-propan-2-yloxy-2-pyridinyl)phenyl]methanesulfonamide
CID 66714800
N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
CID 66714284
2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol
CID 160647577
2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
CID 166339242

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide (CID 87120808) is N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide is Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)F.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is SNRWNQXAUHGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c1-10-5-6-18-8-13(10)12-4-3-11(19-23(2,20)21)7-14(12)22-9-15(16)17/h3-8,15,19H,9H2,1-2H3.
What are the key properties of N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide?
N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 342.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 87120808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).