2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

C18H13BrN4O2S — CID 122285241

IUPAC2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1Br
InChIInChI=1S/C18H13BrN4O2S/c19-15-7-1-2-8-17(15)26(24,25)22-14-6-3-5-13(11-14)16-12-23-10-4-9-20-18(23)21-16/h1-12,22H
InChIKeyYXHFVOWFHDPBBT-UHFFFAOYSA-N
MW429.30 g/mol
LogP3.96
Rot. Bonds4

About 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (PubChem CID 122285241) has the molecular formula C18H13BrN4O2S and a molecular weight of 429.30 g/mol. Its IUPAC name is 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
PubChem CID122285241
Molecular FormulaC18H13BrN4O2S
Molecular Weight429.30 g/mol
Exact Mass427.99
IUPAC Name2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1Br
InChIInChI=1S/C18H13BrN4O2S/c19-15-7-1-2-8-17(15)26(24,25)22-14-6-3-5-13(11-14)16-12-23-10-4-9-20-18(23)21-16/h1-12,22H
InChIKeyYXHFVOWFHDPBBT-UHFFFAOYSA-N
XLogP3.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285192
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
CID 122285184
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122285205
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024186
1-(2-fluorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285217
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)quinoline-8-sulfonamide
CID 122283305
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (CID 122285241) is 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The InChIKey is YXHFVOWFHDPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S/c19-15-7-1-2-8-17(15)26(24,25)22-14-6-3-5-13(11-14)16-12-23-10-4-9-20-18(23)21-16/h1-12,22H.
What are the key properties of 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide has a molecular weight of 429.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 122285241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).