5-fluoro-4-methyl-2-propylsulfonylaniline

C10H14FNO2S — CID 103591314

IUPAC5-fluoro-4-methyl-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1cc(C)c(F)cc1N
InChIInChI=1S/C10H14FNO2S/c1-3-4-15(13,14)10-5-7(2)8(11)6-9(10)12/h5-6H,3-4,12H2,1-2H3
InChIKeyLQQWGTOSMFYREZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.90
Rot. Bonds3

About 5-fluoro-4-methyl-2-propylsulfonylaniline

5-fluoro-4-methyl-2-propylsulfonylaniline (PubChem CID 103591314) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-propylsulfonylaniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-propylsulfonylaniline
PubChem CID103591314
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name5-fluoro-4-methyl-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1cc(C)c(F)cc1N
InChIInChI=1S/C10H14FNO2S/c1-3-4-15(13,14)10-5-7(2)8(11)6-9(10)12/h5-6H,3-4,12H2,1-2H3
InChIKeyLQQWGTOSMFYREZ-UHFFFAOYSA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-4-methyl-2-propylsulfonylaniline 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

1,2,3,4-tetramethyl-5-propylsulfonylbenzene
CID 21353064
4-methyl-3-propylsulfonylaniline
CID 62589386
2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
CID 103589964
4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748688
4-amino-3-propylsulfonylbenzamide
CID 63355743
5-fluoro-2-octylsulfonylaniline
CID 81185523
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438
4-methyl-2-nonylsulfonylaniline
CID 81184082
3-fluoro-4-hexylsulfonylaniline
CID 81191687
2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 165483617
5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
CID 103590975
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
CID 119982500

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-propylsulfonylaniline?
The IUPAC name of 5-fluoro-4-methyl-2-propylsulfonylaniline (CID 103591314) is 5-fluoro-4-methyl-2-propylsulfonylaniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-propylsulfonylaniline?
The canonical SMILES for 5-fluoro-4-methyl-2-propylsulfonylaniline is CCCS(=O)(=O)c1cc(C)c(F)cc1N.
What is the InChIKey of 5-fluoro-4-methyl-2-propylsulfonylaniline?
The InChIKey is LQQWGTOSMFYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-3-4-15(13,14)10-5-7(2)8(11)6-9(10)12/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 5-fluoro-4-methyl-2-propylsulfonylaniline?
5-fluoro-4-methyl-2-propylsulfonylaniline has a molecular weight of 231.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-propylsulfonylaniline is sourced from PubChem (CID 103591314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).