N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride

C15H23ClFN3O3S — CID 120720457

IUPACN-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NCC2(C)CCNCC2)ccc1F.Cl
InChIInChI=1S/C15H22FN3O3S.ClH/c1-11(20)19-14-9-12(3-4-13(14)16)23(21,22)18-10-15(2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10H2,1-2H3,(H,19,20);1H
InChIKeyCOPLFNXWXBAGON-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.87
Rot. Bonds5

About N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride

N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 120720457) has the molecular formula C15H23ClFN3O3S and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID120720457
Molecular FormulaC15H23ClFN3O3S
Molecular Weight379.89 g/mol
Exact Mass379.11
IUPAC NameN-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NCC2(C)CCNCC2)ccc1F.Cl
InChIInChI=1S/C15H22FN3O3S.ClH/c1-11(20)19-14-9-12(3-4-13(14)16)23(21,22)18-10-15(2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10H2,1-2H3,(H,19,20);1H
InChIKeyCOPLFNXWXBAGON-UHFFFAOYSA-N
XLogP1.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119960343
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 120896043
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride (CID 120720457) is N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1cc(S(=O)(=O)NCC2(C)CCNCC2)ccc1F.Cl.
What is the InChIKey of N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is COPLFNXWXBAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S.ClH/c1-11(20)19-14-9-12(3-4-13(14)16)23(21,22)18-10-15(2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride?
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120720457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).