N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide

C13H9F4NO2S — CID 2805794

IUPACN-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C13H9F4NO2S/c14-9-2-1-8(11(16)5-9)7-18-21(19,20)13-4-3-10(15)6-12(13)17/h1-6,18H,7H2
InChIKeyNDMHFVZRVCBJDK-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.72
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide (PubChem CID 2805794) has the molecular formula C13H9F4NO2S and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
PubChem CID2805794
Molecular FormulaC13H9F4NO2S
Molecular Weight319.28 g/mol
Exact Mass319.03
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C13H9F4NO2S/c14-9-2-1-8(11(16)5-9)7-18-21(19,20)13-4-3-10(15)6-12(13)17/h1-6,18H,7H2
InChIKeyNDMHFVZRVCBJDK-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide (CID 2805794) is N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1F)c1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is NDMHFVZRVCBJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2S/c14-9-2-1-8(11(16)5-9)7-18-21(19,20)13-4-3-10(15)6-12(13)17/h1-6,18H,7H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 319.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2805794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).