5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide

C14H13ClFNO4S — CID 110759387

IUPAC5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(OC)c1
InChIInChI=1S/C14H13ClFNO4S/c1-20-10-4-6-12(13(8-10)21-2)17-22(18,19)14-7-9(15)3-5-11(14)16/h3-8,17H,1-2H3
InChIKeyATGBLLDKZHQLMX-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.30
Rot. Bonds5

About 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide

5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 110759387) has the molecular formula C14H13ClFNO4S and a molecular weight of 345.78 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID110759387
Molecular FormulaC14H13ClFNO4S
Molecular Weight345.78 g/mol
Exact Mass345.02
IUPAC Name5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(OC)c1
InChIInChI=1S/C14H13ClFNO4S/c1-20-10-4-6-12(13(8-10)21-2)17-22(18,19)14-7-9(15)3-5-11(14)16/h3-8,17H,1-2H3
InChIKeyATGBLLDKZHQLMX-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
5-chloro-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 47077078
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 167870592
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148025

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide (CID 110759387) is 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(OC)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is ATGBLLDKZHQLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO4S/c1-20-10-4-6-12(13(8-10)21-2)17-22(18,19)14-7-9(15)3-5-11(14)16/h3-8,17H,1-2H3.
What are the key properties of 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 345.78 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 110759387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).