N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide

C14H17FN2O3S — CID 126826986

IUPACN-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCCC3CC32)ccc1F
InChIInChI=1S/C14H17FN2O3S/c1-9(18)16-13-8-11(4-5-12(13)15)21(19,20)17-6-2-3-10-7-14(10)17/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyMCTLQGOKXLTPLZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.96
Rot. Bonds3

About N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide

N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide (PubChem CID 126826986) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide
PubChem CID126826986
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC NameN-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCCC3CC32)ccc1F
InChIInChI=1S/C14H17FN2O3S/c1-9(18)16-13-8-11(4-5-12(13)15)21(19,20)17-6-2-3-10-7-14(10)17/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyMCTLQGOKXLTPLZ-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978571
N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide
CID 126840764
N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
CID 119987931
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481
(3S,4S)-1-(3-acetamido-4-fluorophenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103977
N-[5-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-2-fluorophenyl]acetamide
CID 120719668
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108802633
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860
(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 166835448
methyl 5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2,3,4-trifluorobenzoate
CID 136561862
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide (CID 126826986) is N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N2CCCC3CC32)ccc1F.
What is the InChIKey of N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide?
The InChIKey is MCTLQGOKXLTPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-9(18)16-13-8-11(4-5-12(13)15)21(19,20)17-6-2-3-10-7-14(10)17/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide?
N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 126826986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).