1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea

C15H17N3O4S — CID 134817797

IUPAC1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1
InChIInChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyITJAYNQSUKWUOO-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.30
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea

1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea (PubChem CID 134817797) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
PubChem CID134817797
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1
InChIInChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyITJAYNQSUKWUOO-UHFFFAOYSA-N
XLogP2.30
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817796
1-(2-Methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817798
3-[(4-Fluoro-3-methylphenyl)carbamamido]-4-hydroxy-5-nitrobenzene-1-sulfonamide
CID 134828602
1-Benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 15645619
3-(3-(4-Fluorophenyl)ureido)-4-hydroxybenzenesulfonamide
CID 138393077
1-(2-Hydroxy-5-sulfamoylphenyl)-3-naphthalen-1-ylurea
CID 145982437
1-(3,5-Dimethylphenyl)-3-(2-hydroxy-3-nitro-5-sulfamoylphenyl)urea
CID 145986509
1-(2-Hydroxy-5-sulfamoylphenyl)-3-(2-phenylethyl)urea
CID 145987209
1-(4-Ethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 145987828
1-(4-Butylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 145988784
1-(2-Hydroxy-5-sulfamoylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 145990129
1-(2-Hydroxy-5-sulfamoylphenyl)-3-phenylurea
CID 145990881

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea (CID 134817797) is 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea is Cc1ccc(C)c(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
The InChIKey is ITJAYNQSUKWUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea?
1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea has a molecular weight of 335.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea is sourced from PubChem (CID 134817797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).