1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea

C15H17N3O4S — CID 134817796

IUPAC1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1
InChIInChI=1S/C15H17N3O4S/c1-10-2-4-11(5-3-10)9-17-15(20)18-13-8-12(23(16,21)22)6-7-14(13)19/h2-8,19H,9H2,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyWPPWDFYGZHFOAE-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea

1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 134817796) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID134817796
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1
InChIInChI=1S/C15H17N3O4S/c1-10-2-4-11(5-3-10)9-17-15(20)18-13-8-12(23(16,21)22)6-7-14(13)19/h2-8,19H,9H2,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyWPPWDFYGZHFOAE-UHFFFAOYSA-N
XLogP1.67
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea (CID 134817796) is 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1.
What is the InChIKey of 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is WPPWDFYGZHFOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-2-4-11(5-3-10)9-17-15(20)18-13-8-12(23(16,21)22)6-7-14(13)19/h2-8,19H,9H2,1H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 335.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 134817796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).