1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea

C13H11BrFN3O3S — CID 2955665

IUPAC1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrFN3O3S/c14-9-1-5-11(6-2-9)16-13(19)17-18-22(20,21)12-7-3-10(15)4-8-12/h1-8,18H,(H2,16,17,19)
InChIKeyAXVCYYHQVDTIGD-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea

1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea (PubChem CID 2955665) has the molecular formula C13H11BrFN3O3S and a molecular weight of 388.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea
PubChem CID2955665
Molecular FormulaC13H11BrFN3O3S
Molecular Weight388.22 g/mol
Exact Mass386.97
IUPAC Name1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrFN3O3S/c14-9-1-5-11(6-2-9)16-13(19)17-18-22(20,21)12-7-3-10(15)4-8-12/h1-8,18H,(H2,16,17,19)
InChIKeyAXVCYYHQVDTIGD-UHFFFAOYSA-N
XLogP2.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Benzenesulfonamido)-3-(4-sulfamoylphenyl)urea
CID 118710598
1-[(4-Fluorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710599
1-[(4-Bromophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710601
2-[(4-bromophenyl)sulfonyl]-N-(4-methylphenyl)hydrazinecarboxamide
CID 1014636
4-(3-(4-Bromophenyl)ureido)benzenesulfonamide
CID 27869982
1-(4-Bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836370
N-(4-bromophenyl)-4-[(phenylcarbamoyl)amino]benzenesulfonamide
CID 987995
N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
CID 118706841
N-[4-[(3-bromo-4-fluoroanilino)sulfamoyl]phenyl]acetamide
CID 118706844
N-[4-[(4-bromo-3-fluoroanilino)sulfamoyl]phenyl]acetamide
CID 118706846
1-(Benzenesulfonamido)-3-(4-fluorophenyl)urea
CID 2349598
1-(4-Bromophenyl)-3-(4-bromophenyl)sulfonylurea
CID 14480015

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea (CID 2955665) is 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea is O=C(NNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
The InChIKey is AXVCYYHQVDTIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O3S/c14-9-1-5-11(6-2-9)16-13(19)17-18-22(20,21)12-7-3-10(15)4-8-12/h1-8,18H,(H2,16,17,19).
What are the key properties of 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea?
1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea has a molecular weight of 388.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(4-fluorophenyl)sulfonylamino]urea is sourced from PubChem (CID 2955665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).