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

C13H11ClFNO3S — CID 47408334

IUPACN-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C13H11ClFNO3S/c1-19-9-6-7-10(14)12(8-9)16-20(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3
InChIKeyNOCPFZWXLLZPKQ-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.29
Rot. Bonds4

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

N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 47408334) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID47408334
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C13H11ClFNO3S/c1-19-9-6-7-10(14)12(8-9)16-20(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3
InChIKeyNOCPFZWXLLZPKQ-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

N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 103710408
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
CID 75392083
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
3-amino-N-(2-chloro-5-methoxyphenyl)pyridine-2-sulfonamide
CID 103305037
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide (CID 47408334) is N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide is COc1ccc(Cl)c(NS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is NOCPFZWXLLZPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-19-9-6-7-10(14)12(8-9)16-20(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3.
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
N-(2-chloro-5-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-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 47408334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).