N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide

C19H15F2NO4S2 — CID 146600945

IUPACN-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F
InChIInChI=1S/C19H15F2NO4S2/c1-27(23,24)18-9-5-6-10-19(18)28(25,26)22-17-11-14(15(20)12-16(17)21)13-7-3-2-4-8-13/h2-12,22H,1H3
InChIKeySQSQYGOXSKZCOD-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.84
Rot. Bonds5

About N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide

N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide (PubChem CID 146600945) has the molecular formula C19H15F2NO4S2 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide
PubChem CID146600945
Molecular FormulaC19H15F2NO4S2
Molecular Weight423.46 g/mol
Exact Mass423.04
IUPAC NameN-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F
InChIInChI=1S/C19H15F2NO4S2/c1-27(23,24)18-9-5-6-10-19(18)28(25,26)22-17-11-14(15(20)12-16(17)21)13-7-3-2-4-8-13/h2-12,22H,1H3
InChIKeySQSQYGOXSKZCOD-UHFFFAOYSA-N
XLogP3.84
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide (CID 146600945) is N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F.
What is the InChIKey of N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide?
The InChIKey is SQSQYGOXSKZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4S2/c1-27(23,24)18-9-5-6-10-19(18)28(25,26)22-17-11-14(15(20)12-16(17)21)13-7-3-2-4-8-13/h2-12,22H,1H3.
What are the key properties of N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide?
N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide has a molecular weight of 423.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 146600945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).