methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate

C15H17NO5S — CID 34160950

IUPACmethyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1
InChIInChI=1S/C15H17NO5S/c1-11(10-13-4-3-9-21-13)16-22(18,19)14-7-5-12(6-8-14)15(17)20-2/h3-9,11,16H,10H2,1-2H3/t11-/m0/s1
InChIKeyPOFKMPMQGQBJPR-NSHDSACASA-N
MW323.37 g/mol
LogP1.98
Rot. Bonds6

About methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate

methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate (PubChem CID 34160950) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate
PubChem CID34160950
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Namemethyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1
InChIInChI=1S/C15H17NO5S/c1-11(10-13-4-3-9-21-13)16-22(18,19)14-7-5-12(6-8-14)15(17)20-2/h3-9,11,16H,10H2,1-2H3/t11-/m0/s1
InChIKeyPOFKMPMQGQBJPR-NSHDSACASA-N
XLogP1.98
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate (CID 34160950) is methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1.
What is the InChIKey of methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate?
The InChIKey is POFKMPMQGQBJPR-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NO5S/c1-11(10-13-4-3-9-21-13)16-22(18,19)14-7-5-12(6-8-14)15(17)20-2/h3-9,11,16H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate?
methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate has a molecular weight of 323.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S)-1-(furan-2-yl)propan-2-yl]sulfamoyl]benzoate is sourced from PubChem (CID 34160950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).