1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea

C13H11BrFN3O3S — CID 56836370

IUPAC1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H11BrFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyXLJGEMMAUPQYOF-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea

1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 56836370) has the molecular formula C13H11BrFN3O3S and a molecular weight of 388.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID56836370
Molecular FormulaC13H11BrFN3O3S
Molecular Weight388.22 g/mol
Exact Mass386.97
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H11BrFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyXLJGEMMAUPQYOF-UHFFFAOYSA-N
XLogP2.88
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Slc-0111
CID 310360
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
4-{[(Pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 11245996
1-(4-Aminophenyl)-3-(4-sulfamoylphenyl)urea
CID 43468983
1-(2,6-Difluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836511
N-(4-bromo-2-fluorophenyl)-N'-phenylurea
CID 897521
1-[(4-Bromophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710601
1-(2-Fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 306968
4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide
CID 397555
1-(2,4-Difluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 4803242
2-(3-Pentafluorophenyl-ureido)-benzenesulfonamide
CID 11245995
3-(3-Pentafluorophenyl-ureido)-benzenesulfonamide
CID 11280465

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea (CID 56836370) is 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is XLJGEMMAUPQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 388.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 56836370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).