methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate

C15H16ClNO5S — CID 35311484

IUPACmethyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)c1
InChIInChI=1S/C15H16ClNO5S/c1-9-4-7-13(22-9)10(2)17-23(19,20)14-8-11(15(18)21-3)5-6-12(14)16/h4-8,10,17H,1-3H3/t10-/m0/s1
InChIKeyJULYLODLRGLZNP-JTQLQIEISA-N
MW357.82 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate

methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate (PubChem CID 35311484) has the molecular formula C15H16ClNO5S and a molecular weight of 357.82 g/mol. Its IUPAC name is methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate
PubChem CID35311484
Molecular FormulaC15H16ClNO5S
Molecular Weight357.82 g/mol
Exact Mass357.04
IUPAC Namemethyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)c1
InChIInChI=1S/C15H16ClNO5S/c1-9-4-7-13(22-9)10(2)17-23(19,20)14-8-11(15(18)21-3)5-6-12(14)16/h4-8,10,17H,1-3H3/t10-/m0/s1
InChIKeyJULYLODLRGLZNP-JTQLQIEISA-N
XLogP3.07
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[1-(4-ethoxyphenyl)ethylsulfamoyl]benzoate
CID 55598676
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
methyl 3-(1-aminobutan-2-ylsulfamoyl)-4-chlorobenzoate
CID 65193902
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate
CID 43672750
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate (CID 35311484) is methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate is COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)c1.
What is the InChIKey of methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate?
The InChIKey is JULYLODLRGLZNP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16ClNO5S/c1-9-4-7-13(22-9)10(2)17-23(19,20)14-8-11(15(18)21-3)5-6-12(14)16/h4-8,10,17H,1-3H3/t10-/m0/s1.
What are the key properties of methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate?
methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate has a molecular weight of 357.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 35311484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).