5-fluoro-2-methylsulfonylaniline

C7H8FNO2S — CID 22567345

IUPAC5-fluoro-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C7H8FNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKeyFTVFGNHBSCURJP-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.81
Rot. Bonds1

About 5-fluoro-2-methylsulfonylaniline

5-fluoro-2-methylsulfonylaniline (PubChem CID 22567345) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-fluoro-2-methylsulfonylaniline.

Molecular Properties

Compound Name5-fluoro-2-methylsulfonylaniline
PubChem CID22567345
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name5-fluoro-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C7H8FNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKeyFTVFGNHBSCURJP-UHFFFAOYSA-N
XLogP0.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-methylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfonylbenzene-1,3-diamine
CID 67023137
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
3-amino-4-methylsulfonylbenzenesulfonyl fluoride
CID 44725262
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
2-tert-butyl-4-fluoro-1-methylsulfonylbenzene
CID 129167909
(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
CID 66877132
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
4,6-bis(methylsulfonyl)benzene-1,3-diamine
CID 177497967
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylsulfonylaniline?
The IUPAC name of 5-fluoro-2-methylsulfonylaniline (CID 22567345) is 5-fluoro-2-methylsulfonylaniline.
What is the SMILES notation for 5-fluoro-2-methylsulfonylaniline?
The canonical SMILES for 5-fluoro-2-methylsulfonylaniline is CS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-methylsulfonylaniline?
The InChIKey is FTVFGNHBSCURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3.
What are the key properties of 5-fluoro-2-methylsulfonylaniline?
5-fluoro-2-methylsulfonylaniline has a molecular weight of 189.21 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylsulfonylaniline is sourced from PubChem (CID 22567345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).