N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide

C9H10FNO3S — CID 87670199

IUPACN-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide
SMILESCN(c1cc(C=O)ccc1F)S(C)(=O)=O
InChIInChI=1S/C9H10FNO3S/c1-11(15(2,13)14)9-5-7(6-12)3-4-8(9)10/h3-6H,1-2H3
InChIKeySRZREWAMNLFKKJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.03
Rot. Bonds3

About N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide

N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide (PubChem CID 87670199) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide
PubChem CID87670199
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC NameN-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide
SMILESCN(c1cc(C=O)ccc1F)S(C)(=O)=O
InChIInChI=1S/C9H10FNO3S/c1-11(15(2,13)14)9-5-7(6-12)3-4-8(9)10/h3-6H,1-2H3
InChIKeySRZREWAMNLFKKJ-UHFFFAOYSA-N
XLogP1.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide (CID 87670199) is N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide is CN(c1cc(C=O)ccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide?
The InChIKey is SRZREWAMNLFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-11(15(2,13)14)9-5-7(6-12)3-4-8(9)10/h3-6H,1-2H3.
What are the key properties of N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide?
N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide has a molecular weight of 231.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-formylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 87670199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).