N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide

C15H22FN3O3S — CID 119978571

IUPACN-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNCC1CCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-11(20)18-15-9-13(3-4-14(15)16)23(21,22)19-7-5-12(6-8-19)10-17-2/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyKQOKYGKWOJTKLC-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.40
Rot. Bonds5

About N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 119978571) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID119978571
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNCC1CCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-11(20)18-15-9-13(3-4-14(15)16)23(21,22)19-7-5-12(6-8-19)10-17-2/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyKQOKYGKWOJTKLC-UHFFFAOYSA-N
XLogP1.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
CID 119987931
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide
CID 126840764
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide
CID 126826986
(3S,4S)-1-(3-acetamido-4-fluorophenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103977
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119978186
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
1-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263959

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 119978571) is N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide is CNCC1CCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1.
What is the InChIKey of N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is KQOKYGKWOJTKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-11(20)18-15-9-13(3-4-14(15)16)23(21,22)19-7-5-12(6-8-19)10-17-2/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 343.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 119978571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).