1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea

C13H14N2O4S — CID 110874499

IUPAC1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccoc2)cc1
InChIInChI=1S/C13H14N2O4S/c1-10-2-4-12(5-3-10)20(17,18)15-13(16)14-8-11-6-7-19-9-11/h2-7,9H,8H2,1H3,(H2,14,15,16)
InChIKeyFYAARDCVDPPHBO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.78
Rot. Bonds4

About 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea

1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 110874499) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID110874499
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccoc2)cc1
InChIInChI=1S/C13H14N2O4S/c1-10-2-4-12(5-3-10)20(17,18)15-13(16)14-8-11-6-7-19-9-11/h2-7,9H,8H2,1H3,(H2,14,15,16)
InChIKeyFYAARDCVDPPHBO-UHFFFAOYSA-N
XLogP1.78
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
N-(furan-3-ylmethyl)-2-(4-methylphenyl)sulfonylethanamine
CID 106512322
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110369965
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
N-(furan-3-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 55700082
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154857494

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea (CID 110874499) is 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCc2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is FYAARDCVDPPHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-10-2-4-12(5-3-10)20(17,18)15-13(16)14-8-11-6-7-19-9-11/h2-7,9H,8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea?
1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 294.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110874499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).