4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide

C15H23FN2O2S — CID 106031989

IUPAC4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-3-12(4-2)18-21(19,20)15-8-5-11(9-14(15)16)10-17-13-6-7-13/h5,8-9,12-13,17-18H,3-4,6-7,10H2,1-2H3
InChIKeyLMSXNGRFYXFTQZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.54
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide

4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide (PubChem CID 106031989) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide
PubChem CID106031989
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-3-12(4-2)18-21(19,20)15-8-5-11(9-14(15)16)10-17-13-6-7-13/h5,8-9,12-13,17-18H,3-4,6-7,10H2,1-2H3
InChIKeyLMSXNGRFYXFTQZ-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide 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-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 79189663
2-fluoro-4-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132231
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
CID 106024371
2-fluoro-4-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083931
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 115409035
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046633
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 106072319

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide (CID 106031989) is 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is LMSXNGRFYXFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-12(4-2)18-21(19,20)15-8-5-11(9-14(15)16)10-17-13-6-7-13/h5,8-9,12-13,17-18H,3-4,6-7,10H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide?
4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 106031989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).