N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride

C14H20Cl2FN3O3S — CID 119963730

IUPACN-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC(CN)CC2)cc1Cl.Cl
InChIInChI=1S/C14H19ClFN3O3S.ClH/c1-9(20)18-13-7-12(16)14(6-11(13)15)23(21,22)19-4-2-10(8-17)3-5-19;/h6-7,10H,2-5,8,17H2,1H3,(H,18,20);1H
InChIKeyZJJIWRYZVBSBEV-UHFFFAOYSA-N
MW400.30 g/mol
LogP2.22
Rot. Bonds4

About N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride

N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride (PubChem CID 119963730) has the molecular formula C14H20Cl2FN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride
PubChem CID119963730
Molecular FormulaC14H20Cl2FN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.06
IUPAC NameN-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC(CN)CC2)cc1Cl.Cl
InChIInChI=1S/C14H19ClFN3O3S.ClH/c1-9(20)18-13-7-12(16)14(6-11(13)15)23(21,22)19-4-2-10(8-17)3-5-19;/h6-7,10H,2-5,8,17H2,1H3,(H,18,20);1H
InChIKeyZJJIWRYZVBSBEV-UHFFFAOYSA-N
XLogP2.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 120665641
N-[2-chloro-5-fluoro-4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119990918
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 119960027
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726547
[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
CID 43605263
N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978571

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride (CID 119963730) is N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC(CN)CC2)cc1Cl.Cl.
What is the InChIKey of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
The InChIKey is ZJJIWRYZVBSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O3S.ClH/c1-9(20)18-13-7-12(16)14(6-11(13)15)23(21,22)19-4-2-10(8-17)3-5-19;/h6-7,10H,2-5,8,17H2,1H3,(H,18,20);1H.
What are the key properties of N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride has a molecular weight of 400.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 119963730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).