1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea

C15H16ClN3O2S — CID 10019988

IUPAC1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESCc1ccc(S(N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H16ClN3O2S/c1-10-3-8-14(9-11(10)2)22(17,21)19-15(20)18-13-6-4-12(16)5-7-13/h3-9H,1-2H3,(H3,17,18,19,20,21)
InChIKeyWJOVDEDJRURDMX-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.89
Rot. Bonds2

About 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea

1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea (PubChem CID 10019988) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea
PubChem CID10019988
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESCc1ccc(S(N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H16ClN3O2S/c1-10-3-8-14(9-11(10)2)22(17,21)19-15(20)18-13-6-4-12(16)5-7-13/h3-9H,1-2H3,(H3,17,18,19,20,21)
InChIKeyWJOVDEDJRURDMX-UHFFFAOYSA-N
XLogP3.89
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea (CID 10019988) is 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea is Cc1ccc(S(N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
The InChIKey is WJOVDEDJRURDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-10-3-8-14(9-11(10)2)22(17,21)19-15(20)18-13-6-4-12(16)5-7-13/h3-9H,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea has a molecular weight of 337.83 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 10019988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).