1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea

C14H12Cl2N2O2S — CID 10688715

IUPAC1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESCc1ccc(S(=O)(Cl)=NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12Cl2N2O2S/c1-10-2-8-13(9-3-10)21(16,20)18-14(19)17-12-6-4-11(15)5-7-12/h2-9H,1H3,(H,17,19)
InChIKeyUXRLHOXWNYGLDY-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.86
Rot. Bonds2

About 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea

1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea (PubChem CID 10688715) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
PubChem CID10688715
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESCc1ccc(S(=O)(Cl)=NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12Cl2N2O2S/c1-10-2-8-13(9-3-10)21(16,20)18-14(19)17-12-6-4-11(15)5-7-12/h2-9H,1H3,(H,17,19)
InChIKeyUXRLHOXWNYGLDY-UHFFFAOYSA-N
XLogP4.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
CID 10830894
1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea
CID 10761364
1-[butylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10571795
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10572384
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
1-[(4-chloroanilino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-prop-2-enylurea
CID 10642499

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea (CID 10688715) is 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea is Cc1ccc(S(=O)(Cl)=NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
The InChIKey is UXRLHOXWNYGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c1-10-2-8-13(9-3-10)21(16,20)18-14(19)17-12-6-4-11(15)5-7-12/h2-9H,1H3,(H,17,19).
What are the key properties of 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea has a molecular weight of 343.24 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 10688715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).