N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide

C14H13F2NO4S — CID 768871

IUPACN-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NO4S/c1-20-10-4-6-13(21-2)14(8-10)22(18,19)17-12-5-3-9(15)7-11(12)16/h3-8,17H,1-2H3
InChIKeyMNYYTEONTQOGJE-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.78
Rot. Bonds5

About N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide

N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 768871) has the molecular formula C14H13F2NO4S and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID768871
Molecular FormulaC14H13F2NO4S
Molecular Weight329.32 g/mol
Exact Mass329.05
IUPAC NameN-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NO4S/c1-20-10-4-6-13(21-2)14(8-10)22(18,19)17-12-5-3-9(15)7-11(12)16/h3-8,17H,1-2H3
InChIKeyMNYYTEONTQOGJE-UHFFFAOYSA-N
XLogP2.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide (CID 768871) is N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is MNYYTEONTQOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4S/c1-20-10-4-6-13(21-2)14(8-10)22(18,19)17-12-5-3-9(15)7-11(12)16/h3-8,17H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide?
N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 329.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 768871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).