N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide

C15H16FNO4S — CID 769005

IUPACN-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C15H16FNO4S/c1-20-14-8-7-13(9-15(14)21-2)22(18,19)17-10-11-3-5-12(16)6-4-11/h3-9,17H,10H2,1-2H3
InChIKeyCRHCSUVOAUHTNX-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.32
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide

N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 769005) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID769005
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC NameN-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C15H16FNO4S/c1-20-14-8-7-13(9-15(14)21-2)22(18,19)17-10-11-3-5-12(16)6-4-11/h3-9,17H,10H2,1-2H3
InChIKeyCRHCSUVOAUHTNX-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 769005) is N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is CRHCSUVOAUHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-20-14-8-7-13(9-15(14)21-2)22(18,19)17-10-11-3-5-12(16)6-4-11/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 769005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).