1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea

C14H15N3O5S — CID 134817798

IUPAC1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKeyTYTZFKRSGVNIDM-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea

1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea (PubChem CID 134817798) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea
PubChem CID134817798
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKeyTYTZFKRSGVNIDM-UHFFFAOYSA-N
XLogP1.69
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
1-(2,5-Dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817797
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
3-Amino-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
CID 4657581
N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 2990677
Benzenesulfonyl chloride, 3-(acetylamino)-4-methoxy-
CID 77351
4-hydroxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2324622
1-[3-[(2-Methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4143693
1-Ethyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 4159119
1-[2-Hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-ylmethyl)thiourea
CID 4689786
1-Cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 4984577
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 5018671

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea (CID 134817798) is 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cc(S(N)(=O)=O)ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is TYTZFKRSGVNIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea?
1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 337.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 134817798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).