1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea

C15H17N3O4S — CID 46860267

IUPAC1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyKIFIQTLIAHXLTD-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.30
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea

1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 46860267) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID46860267
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyKIFIQTLIAHXLTD-UHFFFAOYSA-N
XLogP2.30
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea (CID 46860267) is 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is KIFIQTLIAHXLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 335.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 46860267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).