[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

C14H14BrN3O2S — CID 10832810

IUPAC[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(N)=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O2S/c1-10-2-8-13(9-3-10)21(20,18-14(16)19)17-12-6-4-11(15)5-7-12/h2-9H,1H3,(H3,16,17,18,19,20)
InChIKeyJXDBXGDLNXAJIB-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.69
Rot. Bonds3

About [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (PubChem CID 10832810) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.

Molecular Properties

Compound Name[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
PubChem CID10832810
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(N)=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O2S/c1-10-2-8-13(9-3-10)21(20,18-14(16)19)17-12-6-4-11(15)5-7-12/h2-9H,1H3,(H3,16,17,18,19,20)
InChIKeyJXDBXGDLNXAJIB-UHFFFAOYSA-N
XLogP3.69
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3,4-dichloroanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 10570349
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
1-[(4-chloroanilino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-prop-2-enylurea
CID 10642499
N-[(4-methylphenyl)-oxo-[4-(trifluoromethyl)anilino]-λ6-sulfanylidene]benzamide
CID 53230438
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
1-benzyl-3-[(4-chloroanilino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea
CID 11796026
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
2-[(4-bromophenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetaldehyde
CID 2320635
(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 1274947

Frequently Asked Questions

What is the IUPAC name of [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The IUPAC name of [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (CID 10832810) is [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.
What is the SMILES notation for [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The canonical SMILES for [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is Cc1ccc(S(=O)(=NC(N)=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The InChIKey is JXDBXGDLNXAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-10-2-8-13(9-3-10)21(20,18-14(16)19)17-12-6-4-11(15)5-7-12/h2-9H,1H3,(H3,16,17,18,19,20).
What are the key properties of [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea has a molecular weight of 368.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is sourced from PubChem (CID 10832810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).