methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate

C15H17NO5S — CID 95970862

IUPACmethyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)ccc1C
InChIInChI=1S/C15H17NO5S/c1-11-6-7-13(9-14(11)15(17)20-3)22(18,19)16(2)10-12-5-4-8-21-12/h4-9H,10H2,1-3H3
InChIKeyCHCRYVPKWMKRCF-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.20
Rot. Bonds5

About methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate

methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate (PubChem CID 95970862) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
PubChem CID95970862
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Namemethyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)ccc1C
InChIInChI=1S/C15H17NO5S/c1-11-6-7-13(9-14(11)15(17)20-3)22(18,19)16(2)10-12-5-4-8-21-12/h4-9H,10H2,1-3H3
InChIKeyCHCRYVPKWMKRCF-UHFFFAOYSA-N
XLogP2.20
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
CID 100686080
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42983952
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55368442
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904

Frequently Asked Questions

What is the IUPAC name of methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate (CID 95970862) is methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate is COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)ccc1C.
What is the InChIKey of methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate?
The InChIKey is CHCRYVPKWMKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-11-6-7-13(9-14(11)15(17)20-3)22(18,19)16(2)10-12-5-4-8-21-12/h4-9H,10H2,1-3H3.
What are the key properties of methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate?
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate has a molecular weight of 323.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 95970862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).