2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide

C9H11FN2O3S — CID 68721183

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CC(N)=O)cc1F
InChIInChI=1S/C9H11FN2O3S/c1-16(14,15)12-8-3-2-6(4-7(8)10)5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyUWZPHPSBWLVANL-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.22
Rot. Bonds4

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide (PubChem CID 68721183) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
PubChem CID68721183
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CC(N)=O)cc1F
InChIInChI=1S/C9H11FN2O3S/c1-16(14,15)12-8-3-2-6(4-7(8)10)5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyUWZPHPSBWLVANL-UHFFFAOYSA-N
XLogP0.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)-2-fluorophenyl]methanesulfonamide
CID 91179727
N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]urea
CID 11625640
2-(4-chlorophenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]ethanethioamide
CID 11855579
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 71156789
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-propan-2-ylphenyl)ethanethioamide
CID 11855580
3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
CID 44574354
3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
CID 90774689
1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(naphthalen-1-ylmethyl)thiourea
CID 11683150
2,6-difluoro-3-(methanesulfonamido)benzamide
CID 169218137
1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(2-phenylethyl)thiourea
CID 10156688
N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride
CID 67241880

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide (CID 68721183) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1ccc(CC(N)=O)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide?
The InChIKey is UWZPHPSBWLVANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-16(14,15)12-8-3-2-6(4-7(8)10)5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide has a molecular weight of 246.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 68721183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).