N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide

C14H14FNO4S — CID 741636

IUPACN-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C14H14FNO4S/c1-19-13-8-5-11(9-14(13)20-2)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,1-2H3
InChIKeyRENSTQCLKNDAJN-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.64
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide

N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 741636) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID741636
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C14H14FNO4S/c1-19-13-8-5-11(9-14(13)20-2)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,1-2H3
InChIKeyRENSTQCLKNDAJN-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide (CID 741636) is N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is RENSTQCLKNDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S/c1-19-13-8-5-11(9-14(13)20-2)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 741636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).