2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide

C13H9ClFNO3S — CID 106912977

IUPAC2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide
SMILESO=Cc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H9ClFNO3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-11-3-1-2-9(6-11)8-17/h1-8,16H
InChIKeyNOHMTIFBUWUTMD-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.09
Rot. Bonds4

About 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide

2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide (PubChem CID 106912977) has the molecular formula C13H9ClFNO3S and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide
PubChem CID106912977
Molecular FormulaC13H9ClFNO3S
Molecular Weight313.74 g/mol
Exact Mass313.00
IUPAC Name2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide
SMILESO=Cc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H9ClFNO3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-11-3-1-2-9(6-11)8-17/h1-8,16H
InChIKeyNOHMTIFBUWUTMD-UHFFFAOYSA-N
XLogP3.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
2-chloro-N-[3-(chloromethyl)phenyl]-5-fluorobenzenesulfonamide
CID 105400633
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106060611
2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
CID 106060439
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide (CID 106912977) is 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide is O=Cc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide?
The InChIKey is NOHMTIFBUWUTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-11-3-1-2-9(6-11)8-17/h1-8,16H.
What are the key properties of 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide?
2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide has a molecular weight of 313.74 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide is sourced from PubChem (CID 106912977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).