1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea

C14H13ClN2O3S — CID 53343755

IUPAC1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
SMILESCc1ccc(S(=O)(=O)N[11C](=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)/i14-1
InChIKeyYOIDHZBOHMNTNP-UMSOTBISSA-N
MW323.79 g/mol
LogP3.16
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea

1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea (PubChem CID 53343755) has the molecular formula C14H13ClN2O3S and a molecular weight of 323.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
PubChem CID53343755
Molecular FormulaC14H13ClN2O3S
Molecular Weight323.79 g/mol
Exact Mass323.04
IUPAC Name1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
SMILESCc1ccc(S(=O)(=O)N[11C](=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)/i14-1
InChIKeyYOIDHZBOHMNTNP-UMSOTBISSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
[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-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
CID 69346648
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea (CID 53343755) is 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea is Cc1ccc(S(=O)(=O)N[11C](=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea?
The InChIKey is YOIDHZBOHMNTNP-UMSOTBISSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)/i14-1.
What are the key properties of 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea?
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea has a molecular weight of 323.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea is sourced from PubChem (CID 53343755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).