1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea

C13H11BrClN3O2S — CID 10572384

IUPAC1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClN3O2S/c14-9-1-7-12(8-2-9)21(16,20)18-13(19)17-11-5-3-10(15)4-6-11/h1-8H,(H3,16,17,18,19,20)
InChIKeyVODBTSQLPXGBCP-UHFFFAOYSA-N
MW388.67 g/mol
LogP4.04
Rot. Bonds2

About 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea

1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea (PubChem CID 10572384) has the molecular formula C13H11BrClN3O2S and a molecular weight of 388.67 g/mol. Its IUPAC name is 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
PubChem CID10572384
Molecular FormulaC13H11BrClN3O2S
Molecular Weight388.67 g/mol
Exact Mass386.94
IUPAC Name1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClN3O2S/c14-9-1-7-12(8-2-9)21(16,20)18-13(19)17-11-5-3-10(15)4-6-11/h1-8H,(H3,16,17,18,19,20)
InChIKeyVODBTSQLPXGBCP-UHFFFAOYSA-N
XLogP4.04
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10688715
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
1-(4-bromophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
CID 18982691
1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea
CID 10761364
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4627354
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
1-[butylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10571795

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea (CID 10572384) is 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea is NS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
The InChIKey is VODBTSQLPXGBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O2S/c14-9-1-7-12(8-2-9)21(16,20)18-13(19)17-11-5-3-10(15)4-6-11/h1-8H,(H3,16,17,18,19,20).
What are the key properties of 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea?
1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea has a molecular weight of 388.67 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 10572384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).