propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate

C12H15ClFNO4S — CID 47121966

IUPACpropan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
SMILESCC(C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO4S/c1-8(2)19-12(16)5-6-15-20(17,18)11-4-3-9(13)7-10(11)14/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyQGCZAVJHGOVWPF-UHFFFAOYSA-N
MW323.77 g/mol
LogP2.10
Rot. Bonds6

About propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate

propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 47121966) has the molecular formula C12H15ClFNO4S and a molecular weight of 323.77 g/mol. Its IUPAC name is propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
PubChem CID47121966
Molecular FormulaC12H15ClFNO4S
Molecular Weight323.77 g/mol
Exact Mass323.04
IUPAC Namepropan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
SMILESCC(C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO4S/c1-8(2)19-12(16)5-6-15-20(17,18)11-4-3-9(13)7-10(11)14/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyQGCZAVJHGOVWPF-UHFFFAOYSA-N
XLogP2.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47062283
propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 47121963
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 79187850
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
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propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 3853421
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-cyclohexylpropanamide
CID 55914836
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate (CID 47121966) is propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate is CC(C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is QGCZAVJHGOVWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S/c1-8(2)19-12(16)5-6-15-20(17,18)11-4-3-9(13)7-10(11)14/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate?
propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 323.77 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 47121966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).