N-(4-fluoro-3-formylphenyl)ethanesulfonamide

C9H10FNO3S — CID 58259141

IUPACN-(4-fluoro-3-formylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)c(C=O)c1
InChIInChI=1S/C9H10FNO3S/c1-2-15(13,14)11-8-3-4-9(10)7(5-8)6-12/h3-6,11H,2H2,1H3
InChIKeyQZXAZXSAZAIYDW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.40
Rot. Bonds4

About N-(4-fluoro-3-formylphenyl)ethanesulfonamide

N-(4-fluoro-3-formylphenyl)ethanesulfonamide (PubChem CID 58259141) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(4-fluoro-3-formylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-formylphenyl)ethanesulfonamide
PubChem CID58259141
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC NameN-(4-fluoro-3-formylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)c(C=O)c1
InChIInChI=1S/C9H10FNO3S/c1-2-15(13,14)11-8-3-4-9(10)7(5-8)6-12/h3-6,11H,2H2,1H3
InChIKeyQZXAZXSAZAIYDW-UHFFFAOYSA-N
XLogP1.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.40
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

N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 104780935
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]ethanesulfonamide
CID 65437288
N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide
CID 118030296
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 60705439
N-(4-iodo-3-methylphenyl)ethanesulfonamide
CID 57319537
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-formylphenyl)ethanesulfonamide?
The IUPAC name of N-(4-fluoro-3-formylphenyl)ethanesulfonamide (CID 58259141) is N-(4-fluoro-3-formylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-formylphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-fluoro-3-formylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(F)c(C=O)c1.
What is the InChIKey of N-(4-fluoro-3-formylphenyl)ethanesulfonamide?
The InChIKey is QZXAZXSAZAIYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-2-15(13,14)11-8-3-4-9(10)7(5-8)6-12/h3-6,11H,2H2,1H3.
What are the key properties of N-(4-fluoro-3-formylphenyl)ethanesulfonamide?
N-(4-fluoro-3-formylphenyl)ethanesulfonamide has a molecular weight of 231.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-formylphenyl)ethanesulfonamide is sourced from PubChem (CID 58259141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).