3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid

C14H15NO5S — CID 63743675

IUPAC3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C14H15NO5S/c1-10-12(14(16)17)5-2-6-13(10)21(18,19)15-8-7-11-4-3-9-20-11/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyDSQPKBITXZUXPN-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.81
Rot. Bonds6

About 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid

3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid (PubChem CID 63743675) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid
PubChem CID63743675
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C14H15NO5S/c1-10-12(14(16)17)5-2-6-13(10)21(18,19)15-8-7-11-4-3-9-20-11/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyDSQPKBITXZUXPN-UHFFFAOYSA-N
XLogP1.81
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693
3-(2-acetamidoethylsulfamoyl)-2-methylbenzoic acid
CID 63742484
3-(but-3-enylsulfamoyl)-2-methylbenzoic acid
CID 113465362
3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 55230128
2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 64548188
3-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120528
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
3-(cyanomethylsulfamoyl)-2-methylbenzoic acid
CID 63743988
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
3-(hex-5-ynylsulfamoyl)-2-methylbenzoic acid
CID 106208962
2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 60681336

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid (CID 63743675) is 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid is Cc1c(C(=O)O)cccc1S(=O)(=O)NCCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid?
The InChIKey is DSQPKBITXZUXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-10-12(14(16)17)5-2-6-13(10)21(18,19)15-8-7-11-4-3-9-20-11/h2-6,9,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid?
3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid has a molecular weight of 309.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 63743675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).