1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea

C13H10Br2N2O3S — CID 14480015

IUPAC1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea
SMILESO=C(Nc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H10Br2N2O3S/c14-9-1-5-11(6-2-9)16-13(18)17-21(19,20)12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKeyDXDUEJUBODWWBG-UHFFFAOYSA-N
MW434.11 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea

1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea (PubChem CID 14480015) has the molecular formula C13H10Br2N2O3S and a molecular weight of 434.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea
PubChem CID14480015
Molecular FormulaC13H10Br2N2O3S
Molecular Weight434.11 g/mol
Exact Mass431.88
IUPAC Name1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea
SMILESO=C(Nc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H10Br2N2O3S/c14-9-1-5-11(6-2-9)16-13(18)17-21(19,20)12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKeyDXDUEJUBODWWBG-UHFFFAOYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.11
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
1-[(4-Bromophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710601
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-bromo-, 1,1-dioxide
CID 10107532
4-(3-(4-Bromophenyl)ureido)benzenesulfonamide
CID 27869982
1-(4-Bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836370
N-(4-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931424
N-(4-(((4-Bromophenyl)amino)sulfonyl)phenyl)acetamide
CID 984584
N-(4-bromophenyl)-4-[(phenylcarbamoyl)amino]benzenesulfonamide
CID 987995
3-Bromo-4-(3-pentafluorophenyl-ureido)-benzenesulfonamide
CID 11453942
1-(4-Bromophenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
CID 162655147
1,3-Bis(4-bromophenyl)urea
CID 240500
4-Bromo-N-(4-bromophenyl)benzenesulfonamide
CID 347454

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea?
The IUPAC name of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea (CID 14480015) is 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea is O=C(Nc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea?
The InChIKey is DXDUEJUBODWWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O3S/c14-9-1-5-11(6-2-9)16-13(18)17-21(19,20)12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18).
What are the key properties of 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea?
1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea has a molecular weight of 434.11 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-bromophenyl)sulfonylurea is sourced from PubChem (CID 14480015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).