5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide

C15H23FN2O2S — CID 102921001

IUPAC5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(F)cc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C15H23FN2O2S/c1-3-6-17-10-12-4-5-13(16)9-15(12)21(19,20)18-14-7-11(2)8-14/h4-5,9,11,14,17-18H,3,6-8,10H2,1-2H3
InChIKeyPLTGSDUKHADSCJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds7

About 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide

5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide (PubChem CID 102921001) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide
PubChem CID102921001
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(F)cc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C15H23FN2O2S/c1-3-6-17-10-12-4-5-13(16)9-15(12)21(19,20)18-14-7-11(2)8-14/h4-5,9,11,14,17-18H,3,6-8,10H2,1-2H3
InChIKeyPLTGSDUKHADSCJ-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-(3-methylcyclobutyl)-2-(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

N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 102920511
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 106020014
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102920994
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302
5-fluoro-N-methyl-2-(propylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 102920924
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide (CID 102921001) is 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(F)cc1S(=O)(=O)NC1CC(C)C1.
What is the InChIKey of 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide?
The InChIKey is PLTGSDUKHADSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-6-17-10-12-4-5-13(16)9-15(12)21(19,20)18-14-7-11(2)8-14/h4-5,9,11,14,17-18H,3,6-8,10H2,1-2H3.
What are the key properties of 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide?
5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102921001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).