4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide

C14H23FN2O2S — CID 81435327

IUPAC4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCC)cc(C)c1F
InChIInChI=1S/C14H23FN2O2S/c1-4-6-16-10-12-9-13(8-11(3)14(12)15)20(18,19)17-7-5-2/h8-9,16-17H,4-7,10H2,1-3H3
InChIKeyMPEDOVACXHDDCE-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds8

About 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide

4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide (PubChem CID 81435327) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide
PubChem CID81435327
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCC)cc(C)c1F
InChIInChI=1S/C14H23FN2O2S/c1-4-6-16-10-12-9-13(8-11(3)14(12)15)20(18,19)17-7-5-2/h8-9,16-17H,4-7,10H2,1-3H3
InChIKeyMPEDOVACXHDDCE-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide 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

3-(ethylaminomethyl)-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 81435112
N-butyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81434541
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81428139
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 162422353
4-chloro-3-(ethylaminomethyl)-5-fluoro-N-propylbenzenesulfonamide
CID 81457570
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077620
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
3-(ethylaminomethyl)-4-fluoro-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079573
4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055480
3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 81427917
3-[(tert-butylamino)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 81434826
3-fluoro-N-propylbenzenesulfonamide
CID 43212857

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide (CID 81435327) is 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide is CCCNCc1cc(S(=O)(=O)NCCC)cc(C)c1F.
What is the InChIKey of 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide?
The InChIKey is MPEDOVACXHDDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-4-6-16-10-12-9-13(8-11(3)14(12)15)20(18,19)17-7-5-2/h8-9,16-17H,4-7,10H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide?
4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 81435327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).