1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea

C14H14N2O4S — CID 5268819

IUPAC1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O4S/c1-10-2-8-13(9-3-10)21(19,20)16-14(18)15-11-4-6-12(17)7-5-11/h2-9,17H,1H3,(H2,15,16,18)
InChIKeySQGCGGXXEGOFHG-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea

1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 5268819) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID5268819
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O4S/c1-10-2-8-13(9-3-10)21(19,20)16-14(18)15-11-4-6-12(17)7-5-11/h2-9,17H,1H3,(H2,15,16,18)
InChIKeySQGCGGXXEGOFHG-UHFFFAOYSA-N
XLogP2.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
CID 69350721
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825
N'-(4-hydroxyphenyl)-4-methylbenzenesulfonohydrazide
CID 102581250
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417
phenyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate
CID 22564943
1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea
CID 145128031
1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
CID 78269792
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea (CID 5268819) is 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is SQGCGGXXEGOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-2-8-13(9-3-10)21(19,20)16-14(18)15-11-4-6-12(17)7-5-11/h2-9,17H,1H3,(H2,15,16,18).
What are the key properties of 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 306.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 5268819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).