[(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

C14H13Cl2N3O2S — CID 10570349

IUPAC[(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(N)=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2N3O2S/c1-9-2-5-11(6-3-9)22(21,19-14(17)20)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H3,17,18,19,20,21)
InChIKeyZJPBTYSVUFBRAD-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.23
Rot. Bonds3

About [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

[(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (PubChem CID 10570349) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.

Molecular Properties

Compound Name[(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
PubChem CID10570349
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC Name[(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(N)=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2N3O2S/c1-9-2-5-11(6-3-9)22(21,19-14(17)20)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H3,17,18,19,20,21)
InChIKeyZJPBTYSVUFBRAD-UHFFFAOYSA-N
XLogP4.23
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 10832810
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
1-[(4-chloroanilino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-prop-2-enylurea
CID 10642499
1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 70667544
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
1-benzyl-3-[(4-chloroanilino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea
CID 11796026
N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934

Frequently Asked Questions

What is the IUPAC name of [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The IUPAC name of [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (CID 10570349) is [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.
What is the SMILES notation for [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The canonical SMILES for [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is Cc1ccc(S(=O)(=NC(N)=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The InChIKey is ZJPBTYSVUFBRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c1-9-2-5-11(6-3-9)22(21,19-14(17)20)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H3,17,18,19,20,21).
What are the key properties of [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
[(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea has a molecular weight of 358.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is sourced from PubChem (CID 10570349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).