5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

C15H25FN2O2S — CID 102920651

IUPAC5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H25FN2O2S/c1-11(2)10-18(12(3)4)21(19,20)15-8-14(16)7-6-13(15)9-17-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyOKKBKKMNCFXZLC-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.60
Rot. Bonds7

About 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 102920651) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID102920651
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H25FN2O2S/c1-11(2)10-18(12(3)4)21(19,20)15-8-14(16)7-6-13(15)9-17-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyOKKBKKMNCFXZLC-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-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

5-fluoro-2-(methylaminomethyl)-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 102920199
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 102920403
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
CID 59389599
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876
5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081960
2-(chloromethyl)-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102920040
2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 102920813

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 102920651) is 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OKKBKKMNCFXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-11(2)10-18(12(3)4)21(19,20)15-8-14(16)7-6-13(15)9-17-5/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 102920651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).