2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide

C14H20ClFN2O2S — CID 60807123

IUPAC2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2O2S/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyITQIRNGKDNKIMD-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.63
Rot. Bonds5

About 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide

2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 60807123) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID60807123
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2O2S/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyITQIRNGKDNKIMD-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-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

2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
methyl 3-chloro-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate;hydrochloride
CID 119993955
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712673
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-propylbenzenesulfonamide
CID 102920018
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 60807123) is 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is ITQIRNGKDNKIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15/h3-4,10,12,17H,2,5-9H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60807123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).