methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate

C14H20FNO4S — CID 62995687

IUPACmethyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO4S/c1-11(10-12-5-7-13(15)8-6-12)16-21(18,19)9-3-4-14(17)20-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyHCLMVQUQLQPISK-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.63
Rot. Bonds8

About methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate

methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate (PubChem CID 62995687) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate
PubChem CID62995687
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Namemethyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO4S/c1-11(10-12-5-7-13(15)8-6-12)16-21(18,19)9-3-4-14(17)20-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyHCLMVQUQLQPISK-UHFFFAOYSA-N
XLogP1.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]propane-1-sulfonamide
CID 62997355
methyl 4-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]butanoate
CID 81350625
N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide
CID 106062305
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
methyl 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)butanoate
CID 104854823
methyl 4-(hexan-2-ylsulfamoyl)butanoate
CID 62200961
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylbutanoate
CID 114828492
methyl 4-[(2-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460153
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate (CID 62995687) is methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate?
The InChIKey is HCLMVQUQLQPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-11(10-12-5-7-13(15)8-6-12)16-21(18,19)9-3-4-14(17)20-2/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate?
methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate has a molecular weight of 317.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate is sourced from PubChem (CID 62995687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).