5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide

C15H22BrFN2O2S — CID 120712618

IUPAC5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)c(F)cc1C
InChIInChI=1S/C15H22BrFN2O2S/c1-3-8-19(12-4-6-18-7-5-12)22(20,21)15-10-13(16)14(17)9-11(15)2/h9-10,12,18H,3-8H2,1-2H3
InChIKeyKPFWGGAFEIKJOG-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.05
Rot. Bonds5

About 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide

5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 120712618) has the molecular formula C15H22BrFN2O2S and a molecular weight of 393.32 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID120712618
Molecular FormulaC15H22BrFN2O2S
Molecular Weight393.32 g/mol
Exact Mass392.06
IUPAC Name5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)c(F)cc1C
InChIInChI=1S/C15H22BrFN2O2S/c1-3-8-19(12-4-6-18-7-5-12)22(20,21)15-10-13(16)14(17)9-11(15)2/h9-10,12,18H,3-8H2,1-2H3
InChIKeyKPFWGGAFEIKJOG-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-fluoro-2-methyl-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-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
3-bromo-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994194
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976636
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976635
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119994102
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 120712618) is 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)c(F)cc1C.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is KPFWGGAFEIKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O2S/c1-3-8-19(12-4-6-18-7-5-12)22(20,21)15-10-13(16)14(17)9-11(15)2/h9-10,12,18H,3-8H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide?
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide has a molecular weight of 393.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 120712618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).