methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate

C14H15ClN2O5S — CID 46853797

IUPACmethyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OC)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O5S/c1-16-23(19,20)13-6-10(14(18)21-2)12(7-11(13)15)17-8-9-4-3-5-22-9/h3-7,16-17H,8H2,1-2H3
InChIKeyZXVVEPHOJILHNA-UHFFFAOYSA-N
MW358.80 g/mol
LogP2.24
Rot. Bonds6

About methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate

methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate (PubChem CID 46853797) has the molecular formula C14H15ClN2O5S and a molecular weight of 358.80 g/mol. Its IUPAC name is methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate
PubChem CID46853797
Molecular FormulaC14H15ClN2O5S
Molecular Weight358.80 g/mol
Exact Mass358.04
IUPAC Namemethyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OC)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O5S/c1-16-23(19,20)13-6-10(14(18)21-2)12(7-11(13)15)17-8-9-4-3-5-22-9/h3-7,16-17H,8H2,1-2H3
InChIKeyZXVVEPHOJILHNA-UHFFFAOYSA-N
XLogP2.24
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Furosemide
CID 3440
4-Chloro-2-[(furan-2-ylmethyl)ammonio]-5-sulfamoylbenzoate
CID 118985385
Sodium furosemide
CID 23673593
beta-D-Glucopyranuronic acid, 1-(5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)benzoate)
CID 21123459
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 2087030
4-Chloro-2-[(2-furanylmethyl)amino]-5-[(methylamino)sulfonyl]benzoic acid
CID 46853798
4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide
CID 155451989
4-chloro-N-furfuryl-5-(N-benzyl-N-methylsulfamoyl) anthranilic acid
CID 155452007
4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide
CID 155452035
4-Chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzamide
CID 155452036
4-Chloro-2-(furan-2-ylmethylamino)benzoic acid
CID 556937
4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 4739262

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate?
The IUPAC name of methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate (CID 46853797) is methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OC)c(NCc2ccco2)cc1Cl.
What is the InChIKey of methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate?
The InChIKey is ZXVVEPHOJILHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5S/c1-16-23(19,20)13-6-10(14(18)21-2)12(7-11(13)15)17-8-9-4-3-5-22-9/h3-7,16-17H,8H2,1-2H3.
What are the key properties of methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate?
methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate has a molecular weight of 358.80 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(furan-2-ylmethylamino)-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 46853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).