1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea

C15H17N3O3S — CID 134347049

IUPAC1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea
SMILESCc1ccc(NC(=O)NS(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-3-7-13(8-4-11)16-15(19)18-22(20,21)17-14-9-5-12(2)6-10-14/h3-10,17H,1-2H3,(H2,16,18,19)
InChIKeyOLJWHVOMCKSWOX-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.78
Rot. Bonds4

About 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea

1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea (PubChem CID 134347049) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea
PubChem CID134347049
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea
SMILESCc1ccc(NC(=O)NS(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-3-7-13(8-4-11)16-15(19)18-22(20,21)17-14-9-5-12(2)6-10-14/h3-10,17H,1-2H3,(H2,16,18,19)
InChIKeyOLJWHVOMCKSWOX-UHFFFAOYSA-N
XLogP2.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea
CID 145128031
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-methylphenyl)acetamide
CID 7684
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea
CID 22750889
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea (CID 134347049) is 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea is Cc1ccc(NC(=O)NS(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea?
The InChIKey is OLJWHVOMCKSWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-3-7-13(8-4-11)16-15(19)18-22(20,21)17-14-9-5-12(2)6-10-14/h3-10,17H,1-2H3,(H2,16,18,19).
What are the key properties of 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea?
1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea has a molecular weight of 319.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea is sourced from PubChem (CID 134347049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).