1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea

C15H15ClN2O3S — CID 10830894

IUPAC1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N=S(=O)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11-3-9-14(10-4-11)22(16,20)18-15(19)17-12-5-7-13(21-2)8-6-12/h3-10H,1-2H3,(H,17,19)
InChIKeyQSTWMRIWLQCPRT-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.22
Rot. Bonds3

About 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea

1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea (PubChem CID 10830894) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
PubChem CID10830894
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N=S(=O)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11-3-9-14(10-4-11)22(16,20)18-15(19)17-12-5-7-13(21-2)8-6-12/h3-10H,1-2H3,(H,17,19)
InChIKeyQSTWMRIWLQCPRT-UHFFFAOYSA-N
XLogP4.22
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea (CID 10830894) is 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N=S(=O)(Cl)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
The InChIKey is QSTWMRIWLQCPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11-3-9-14(10-4-11)22(16,20)18-15(19)17-12-5-7-13(21-2)8-6-12/h3-10H,1-2H3,(H,17,19).
What are the key properties of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea has a molecular weight of 338.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 10830894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).