N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

C22H19Br2N3O2S — CID 42737783

IUPACN-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4cc(Br)cc(Br)c4n3)c2)c(C)c1
InChIInChI=1S/C22H19Br2N3O2S/c1-13-7-14(2)21(15(3)8-13)30(28,29)26-18-6-4-5-16(9-18)20-12-27-11-17(23)10-19(24)22(27)25-20/h4-12,26H,1-3H3
InChIKeyKWIPOWBBCJBQKQ-UHFFFAOYSA-N
MW549.29 g/mol
LogP6.25
Rot. Bonds4

About N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 42737783) has the molecular formula C22H19Br2N3O2S and a molecular weight of 549.29 g/mol. Its IUPAC name is N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID42737783
Molecular FormulaC22H19Br2N3O2S
Molecular Weight549.29 g/mol
Exact Mass546.96
IUPAC NameN-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4cc(Br)cc(Br)c4n3)c2)c(C)c1
InChIInChI=1S/C22H19Br2N3O2S/c1-13-7-14(2)21(15(3)8-13)30(28,29)26-18-6-4-5-16(9-18)20-12-27-11-17(23)10-19(24)22(27)25-20/h4-12,26H,1-3H3
InChIKeyKWIPOWBBCJBQKQ-UHFFFAOYSA-N
XLogP6.25
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.29
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 42658403
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]pentanamide
CID 42658406
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643728
3-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 4232154
4-tert-butyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 983376
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-methoxybenzamide
CID 42737775
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110668633
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
2-methoxy-5-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284192
1-ethyl-3,5-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122284373
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42737773

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 42737783) is N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4cc(Br)cc(Br)c4n3)c2)c(C)c1.
What is the InChIKey of N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is KWIPOWBBCJBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2N3O2S/c1-13-7-14(2)21(15(3)8-13)30(28,29)26-18-6-4-5-16(9-18)20-12-27-11-17(23)10-19(24)22(27)25-20/h4-12,26H,1-3H3.
What are the key properties of N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 549.29 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 42737783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).