4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

C15H22ClF3N2O3S — CID 120875580

IUPAC4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1.Cl
InChIInChI=1S/C15H21F3N2O3S.ClH/c1-2-9-20(11-5-7-19-8-6-11)24(21,22)12-3-4-14(13(16)10-12)23-15(17)18;/h3-4,10-11,15,19H,2,5-9H2,1H3;1H
InChIKeyHUJHMGVCAOPGAN-UHFFFAOYSA-N
MW402.87 g/mol
LogP3.00
Rot. Bonds7

About 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 120875580) has the molecular formula C15H22ClF3N2O3S and a molecular weight of 402.87 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID120875580
Molecular FormulaC15H22ClF3N2O3S
Molecular Weight402.87 g/mol
Exact Mass402.10
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1.Cl
InChIInChI=1S/C15H21F3N2O3S.ClH/c1-2-9-20(11-5-7-19-8-6-11)24(21,22)12-3-4-14(13(16)10-12)23-15(17)18;/h3-4,10-11,15,19H,2,5-9H2,1H3;1H
InChIKeyHUJHMGVCAOPGAN-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride 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-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119994184
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874438
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
4-(difluoromethoxy)-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120874646

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 120875580) is 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1.Cl.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is HUJHMGVCAOPGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S.ClH/c1-2-9-20(11-5-7-19-8-6-11)24(21,22)12-3-4-14(13(16)10-12)23-15(17)18;/h3-4,10-11,15,19H,2,5-9H2,1H3;1H.
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 402.87 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120875580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).