1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea

C13H12BrN3O3S — CID 27869982

IUPAC1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyDXQKMYKLTXOZRT-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea

1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 27869982) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID27869982
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyDXQKMYKLTXOZRT-UHFFFAOYSA-N
XLogP2.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Slc-0111
CID 310360
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
1-(4-Bromophenyl)-3-phenylurea
CID 598833
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
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
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-bromo-, 1,1-dioxide
CID 10107532

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea (CID 27869982) is 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is DXQKMYKLTXOZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-bromophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 370.23 g/mol, XLogP of 2.74, 3 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-sulfamoylphenyl)urea is sourced from PubChem (CID 27869982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).