4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide

C16H25FN2O2S — CID 119993817

IUPAC4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H25FN2O2S/c1-4-9-19(14-5-7-18-8-6-14)22(20,21)15-10-12(2)16(17)13(3)11-15/h10-11,14,18H,4-9H2,1-3H3
InChIKeyWOCPYRALYHXYOD-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.60
Rot. Bonds5

About 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide

4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 119993817) has the molecular formula C16H25FN2O2S and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID119993817
Molecular FormulaC16H25FN2O2S
Molecular Weight328.45 g/mol
Exact Mass328.16
IUPAC Name4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H25FN2O2S/c1-4-9-19(14-5-7-18-8-6-14)22(20,21)15-10-12(2)16(17)13(3)11-15/h10-11,14,18H,4-9H2,1-3H3
InChIKeyWOCPYRALYHXYOD-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide 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-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993659
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 60805252
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 119993817) is 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is WOCPYRALYHXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2S/c1-4-9-19(14-5-7-18-8-6-14)22(20,21)15-10-12(2)16(17)13(3)11-15/h10-11,14,18H,4-9H2,1-3H3.
What are the key properties of 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide has a molecular weight of 328.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 119993817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).