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

C15H25ClFN3O4S2 — CID 119993908

IUPAC3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C15H24FN3O4S2.ClH/c1-3-10-19(12-6-8-17-9-7-12)25(22,23)13-4-5-15(14(16)11-13)18-24(2,20)21;/h4-5,11-12,17-18H,3,6-10H2,1-2H3;1H
InChIKeyKWYUQOWHTRWILO-UHFFFAOYSA-N
MW429.97 g/mol
LogP1.77
Rot. Bonds7

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

3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 119993908) has the molecular formula C15H25ClFN3O4S2 and a molecular weight of 429.97 g/mol. Its IUPAC name is 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID119993908
Molecular FormulaC15H25ClFN3O4S2
Molecular Weight429.97 g/mol
Exact Mass429.10
IUPAC Name3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C15H24FN3O4S2.ClH/c1-3-10-19(12-6-8-17-9-7-12)25(22,23)13-4-5-15(14(16)11-13)18-24(2,20)21;/h4-5,11-12,17-18H,3,6-10H2,1-2H3;1H
InChIKeyKWYUQOWHTRWILO-UHFFFAOYSA-N
XLogP1.77
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965840
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119994184
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
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
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 119993908) is 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl.
What is the InChIKey of 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is KWYUQOWHTRWILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O4S2.ClH/c1-3-10-19(12-6-8-17-9-7-12)25(22,23)13-4-5-15(14(16)11-13)18-24(2,20)21;/h4-5,11-12,17-18H,3,6-10H2,1-2H3;1H.
What are the key properties of 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 429.97 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).