4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide

C19H14Cl2N4O2S — CID 122392304

IUPAC4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide
SMILESCc1cc(Cl)nc2nc(-c3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)n12
InChIInChI=1S/C19H14Cl2N4O2S/c1-12-11-16(21)22-19-23-17(13-5-3-2-4-6-13)18(25(12)19)24-28(26,27)15-9-7-14(20)8-10-15/h2-11,24H,1H3
InChIKeyBIUAOWCZQGVBDE-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.81
Rot. Bonds4

About 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide

4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide (PubChem CID 122392304) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide
PubChem CID122392304
Molecular FormulaC19H14Cl2N4O2S
Molecular Weight433.32 g/mol
Exact Mass432.02
IUPAC Name4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide
SMILESCc1cc(Cl)nc2nc(-c3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)n12
InChIInChI=1S/C19H14Cl2N4O2S/c1-12-11-16(21)22-19-23-17(13-5-3-2-4-6-13)18(25(12)19)24-28(26,27)15-9-7-14(20)8-10-15/h2-11,24H,1H3
InChIKeyBIUAOWCZQGVBDE-UHFFFAOYSA-N
XLogP4.81
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide
CID 102360690
N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide
CID 122392307
4-methoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzenesulfonamide
CID 25038955
4-ethoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzenesulfonamide
CID 25042588
4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 11280004
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-4-chlorobenzenesulfonamide
CID 146094814
4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 55864644
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide (CID 122392304) is 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide is Cc1cc(Cl)nc2nc(-c3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)n12.
What is the InChIKey of 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide?
The InChIKey is BIUAOWCZQGVBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c1-12-11-16(21)22-19-23-17(13-5-3-2-4-6-13)18(25(12)19)24-28(26,27)15-9-7-14(20)8-10-15/h2-11,24H,1H3.
What are the key properties of 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide?
4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide has a molecular weight of 433.32 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 122392304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).