3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide

C15H20BrN3O2S — CID 119993659

IUPAC3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1
InChIInChI=1S/C15H20BrN3O2S/c1-2-7-19(14-3-5-18-6-4-14)22(20,21)15-9-12(11-17)8-13(16)10-15/h8-10,14,18H,2-7H2,1H3
InChIKeySSHJNPQYMGMYCG-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.47
Rot. Bonds5

About 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide

3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 119993659) has the molecular formula C15H20BrN3O2S and a molecular weight of 386.32 g/mol. Its IUPAC name is 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID119993659
Molecular FormulaC15H20BrN3O2S
Molecular Weight386.32 g/mol
Exact Mass385.05
IUPAC Name3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1
InChIInChI=1S/C15H20BrN3O2S/c1-2-7-19(14-3-5-18-6-4-14)22(20,21)15-9-12(11-17)8-13(16)10-15/h8-10,14,18H,2-7H2,1H3
InChIKeySSHJNPQYMGMYCG-UHFFFAOYSA-N
XLogP2.47
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-cyano-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

3-bromo-5-cyano-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976364
3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120712674
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 119993659) is 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1.
What is the InChIKey of 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is SSHJNPQYMGMYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2S/c1-2-7-19(14-3-5-18-6-4-14)22(20,21)15-9-12(11-17)8-13(16)10-15/h8-10,14,18H,2-7H2,1H3.
What are the key properties of 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide?
3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide has a molecular weight of 386.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 119993659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).