N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide

C18H12BrClN4O2S — CID 122392307

IUPACN-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)nc2ncc(Br)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H12BrClN4O2S/c19-13-10-21-18-22-16(12-4-2-1-3-5-12)17(24(18)11-13)23-27(25,26)15-8-6-14(20)7-9-15/h1-11,23H
InChIKeyXBXRAUCYNUTSQR-UHFFFAOYSA-N
MW463.74 g/mol
LogP4.61
Rot. Bonds4

About N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide

N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide (PubChem CID 122392307) has the molecular formula C18H12BrClN4O2S and a molecular weight of 463.74 g/mol. Its IUPAC name is N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide
PubChem CID122392307
Molecular FormulaC18H12BrClN4O2S
Molecular Weight463.74 g/mol
Exact Mass461.96
IUPAC NameN-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)nc2ncc(Br)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H12BrClN4O2S/c19-13-10-21-18-22-16(12-4-2-1-3-5-12)17(24(18)11-13)23-27(25,26)15-8-6-14(20)7-9-15/h1-11,23H
InChIKeyXBXRAUCYNUTSQR-UHFFFAOYSA-N
XLogP4.61
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.74
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide
CID 122392304
6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 113303483
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide
CID 102360690
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 50907699
4-methoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzenesulfonamide
CID 25038955
N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 124587265
4-ethoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzenesulfonamide
CID 25042588
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide (CID 122392307) is N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1c(-c2ccccc2)nc2ncc(Br)cn12)c1ccc(Cl)cc1.
What is the InChIKey of N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide?
The InChIKey is XBXRAUCYNUTSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4O2S/c19-13-10-21-18-22-16(12-4-2-1-3-5-12)17(24(18)11-13)23-27(25,26)15-8-6-14(20)7-9-15/h1-11,23H.
What are the key properties of N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide?
N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide has a molecular weight of 463.74 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 122392307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).