N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride

C16H25ClFN3O3S — CID 119994184

IUPACN-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1.Cl
InChIInChI=1S/C16H24FN3O3S.ClH/c1-3-10-20(13-6-8-18-9-7-13)24(22,23)14-4-5-15(17)16(11-14)19-12(2)21;/h4-5,11,13,18H,3,6-10H2,1-2H3,(H,19,21);1H
InChIKeyQUUXDBVKIZQKOI-UHFFFAOYSA-N
MW393.91 g/mol
LogP2.36
Rot. Bonds6

About N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride

N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 119994184) has the molecular formula C16H25ClFN3O3S and a molecular weight of 393.91 g/mol. Its IUPAC name is N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID119994184
Molecular FormulaC16H25ClFN3O3S
Molecular Weight393.91 g/mol
Exact Mass393.13
IUPAC NameN-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1.Cl
InChIInChI=1S/C16H24FN3O3S.ClH/c1-3-10-20(13-6-8-18-9-7-13)24(22,23)14-4-5-15(17)16(11-14)19-12(2)21;/h4-5,11,13,18H,3,6-10H2,1-2H3,(H,19,21);1H
InChIKeyQUUXDBVKIZQKOI-UHFFFAOYSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.91
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
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
1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
CID 119994113
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride (CID 119994184) is N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1.Cl.
What is the InChIKey of N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is QUUXDBVKIZQKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S.ClH/c1-3-10-20(13-6-8-18-9-7-13)24(22,23)14-4-5-15(17)16(11-14)19-12(2)21;/h4-5,11,13,18H,3,6-10H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride?
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 393.91 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).