N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide

C13H11F2NO3S — CID 798896

IUPACN-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C13H11F2NO3S/c1-19-10-3-5-11(6-4-10)20(17,18)16-9-2-7-12(14)13(15)8-9/h2-8,16H,1H3
InChIKeyKCKQXNZSHMOWHF-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.77
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide

N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 798896) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID798896
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC NameN-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C13H11F2NO3S/c1-19-10-3-5-11(6-4-10)20(17,18)16-9-2-7-12(14)13(15)8-9/h2-8,16H,1H3
InChIKeyKCKQXNZSHMOWHF-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide (CID 798896) is N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is KCKQXNZSHMOWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c1-19-10-3-5-11(6-4-10)20(17,18)16-9-2-7-12(14)13(15)8-9/h2-8,16H,1H3.
What are the key properties of N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 798896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).