1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea

C18H16N2O5S — CID 118719972

IUPAC1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22)
InChIKeyGNOQGZBRNYQEDY-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea

1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 118719972) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea
PubChem CID118719972
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22)
InChIKeyGNOQGZBRNYQEDY-UHFFFAOYSA-N
XLogP2.92
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea (CID 118719972) is 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is GNOQGZBRNYQEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea?
1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 372.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 118719972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).