N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide

C14H13ClFNO3S — CID 16644774

IUPACN-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H13ClFNO3S/c1-20-13-7-6-11(16)8-14(13)21(18,19)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3
InChIKeyIQGWDPCSERYJKU-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.97
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 16644774) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID16644774
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC NameN-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H13ClFNO3S/c1-20-13-7-6-11(16)8-14(13)21(18,19)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3
InChIKeyIQGWDPCSERYJKU-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide 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-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide (CID 16644774) is N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is IQGWDPCSERYJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-20-13-7-6-11(16)8-14(13)21(18,19)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 16644774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).