N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide

C13H11ClFNO3S — CID 2696930

IUPACN-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11ClFNO3S/c1-19-12-7-6-9(14)8-11(12)16-20(17,18)13-5-3-2-4-10(13)15/h2-8,16H,1H3
InChIKeyXSVDFHPQINKVJJ-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.29
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 2696930) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID2696930
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11ClFNO3S/c1-19-12-7-6-9(14)8-11(12)16-20(17,18)13-5-3-2-4-10(13)15/h2-8,16H,1H3
InChIKeyXSVDFHPQINKVJJ-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 2454498
2-chloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 43388263
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide (CID 2696930) is N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is XSVDFHPQINKVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-19-12-7-6-9(14)8-11(12)16-20(17,18)13-5-3-2-4-10(13)15/h2-8,16H,1H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 2696930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).