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

C15H22Cl2F2N2O3S — CID 119993709

IUPAC3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.Cl
InChIInChI=1S/C15H21ClF2N2O3S.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
InChIKeyMBHLWOAACMNEDB-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.52
Rot. Bonds7

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

3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 119993709) has the molecular formula C15H22Cl2F2N2O3S and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID119993709
Molecular FormulaC15H22Cl2F2N2O3S
Molecular Weight419.32 g/mol
Exact Mass418.07
IUPAC Name3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.Cl
InChIInChI=1S/C15H21ClF2N2O3S.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
InChIKeyMBHLWOAACMNEDB-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
CID 66181484
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
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
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119994184

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 119993709) is 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.Cl.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is MBHLWOAACMNEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF2N2O3S.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 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 419.32 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).