1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea

C22H17BrN4O3S — CID 174407941

IUPAC1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea
SMILESNS(=O)(=O)c1ccc2cccc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)c2n1
InChIInChI=1S/C22H17BrN4O3S/c23-18-6-1-2-7-19(18)26-22(28)25-16-11-8-14(9-12-16)17-5-3-4-15-10-13-20(27-21(15)17)31(24,29)30/h1-13H,(H2,24,29,30)(H2,25,26,28)
InChIKeyJJGCPAXNJZLDFK-UHFFFAOYSA-N
MW497.37 g/mol
LogP4.96
Rot. Bonds4

About 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea

1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea (PubChem CID 174407941) has the molecular formula C22H17BrN4O3S and a molecular weight of 497.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea
PubChem CID174407941
Molecular FormulaC22H17BrN4O3S
Molecular Weight497.37 g/mol
Exact Mass496.02
IUPAC Name1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea
SMILESNS(=O)(=O)c1ccc2cccc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)c2n1
InChIInChI=1S/C22H17BrN4O3S/c23-18-6-1-2-7-19(18)26-22(28)25-16-11-8-14(9-12-16)17-5-3-4-15-10-13-20(27-21(15)17)31(24,29)30/h1-13H,(H2,24,29,30)(H2,25,26,28)
InChIKeyJJGCPAXNJZLDFK-UHFFFAOYSA-N
XLogP4.96
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.37
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25134915
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
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CID 70124563
1-(2-bromophenyl)-3-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
CID 91906825
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
1-[4-(3-amino-2,1-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea
CID 69167605
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CID 108868832
3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide
CID 10383212
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CID 21184692

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea (CID 174407941) is 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea is NS(=O)(=O)c1ccc2cccc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)c2n1.
What is the InChIKey of 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea?
The InChIKey is JJGCPAXNJZLDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O3S/c23-18-6-1-2-7-19(18)26-22(28)25-16-11-8-14(9-12-16)17-5-3-4-15-10-13-20(27-21(15)17)31(24,29)30/h1-13H,(H2,24,29,30)(H2,25,26,28).
What are the key properties of 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea?
1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea has a molecular weight of 497.37 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea is sourced from PubChem (CID 174407941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).