N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide

C20H17F2NO4S2 — CID 139699336

IUPACN-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H17F2NO4S2/c1-28(24,25)16-7-3-13(4-8-16)19-12-15(23-29(2,26)27)6-10-17(19)18-9-5-14(21)11-20(18)22/h3-12,23H,1-2H3
InChIKeyHKVUSXNYKRTTRQ-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.07
Rot. Bonds5

About N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide

N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide (PubChem CID 139699336) has the molecular formula C20H17F2NO4S2 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide
PubChem CID139699336
Molecular FormulaC20H17F2NO4S2
Molecular Weight437.49 g/mol
Exact Mass437.06
IUPAC NameN-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H17F2NO4S2/c1-28(24,25)16-7-3-13(4-8-16)19-12-15(23-29(2,26)27)6-10-17(19)18-9-5-14(21)11-20(18)22/h3-12,23H,1-2H3
InChIKeyHKVUSXNYKRTTRQ-UHFFFAOYSA-N
XLogP4.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide (CID 139699336) is N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(F)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide?
The InChIKey is HKVUSXNYKRTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S2/c1-28(24,25)16-7-3-13(4-8-16)19-12-15(23-29(2,26)27)6-10-17(19)18-9-5-14(21)11-20(18)22/h3-12,23H,1-2H3.
What are the key properties of N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide?
N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide has a molecular weight of 437.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 139699336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).