N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide

C15H15F2NO3S — CID 71956485

IUPACN-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(Cc2ccc(F)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C15H15F2NO3S/c1-21-14-7-5-13(6-8-14)18(22(2,19)20)10-11-3-4-12(16)9-15(11)17/h3-9H,10H2,1-2H3
InChIKeyGECILAKAXOVDOA-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.94
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide

N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide (PubChem CID 71956485) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide
PubChem CID71956485
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(Cc2ccc(F)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C15H15F2NO3S/c1-21-14-7-5-13(6-8-14)18(22(2,19)20)10-11-3-4-12(16)9-15(11)17/h3-9H,10H2,1-2H3
InChIKeyGECILAKAXOVDOA-UHFFFAOYSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide (CID 71956485) is N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide is COc1ccc(N(Cc2ccc(F)cc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is GECILAKAXOVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-21-14-7-5-13(6-8-14)18(22(2,19)20)10-11-3-4-12(16)9-15(11)17/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 71956485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).