4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole

C34H25Br2ClN6O4S4 — CID 158221160

About 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole

4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole (PubChem CID 158221160) has the molecular formula C34H25Br2ClN6O4S4 and a molecular weight of 905.14 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole
• PubChem CID: 158221160
• Molecular Formula: C34H25Br2ClN6O4S4
• Molecular Weight: 905.14 g/mol
• Exact Mass: 901.89
• IUPAC Name: 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole
• SMILES: Cc1nc(-c2c[nH]c3ncc(Br)cc23)cs1.Cc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cs1.O=S(=O)(Cl)c1ccccc1
• InChI: InChI=1S/C17H12BrN3O2S2.C11H8BrN3S.C6H5ClO2S/c1-11-20-16(10-24-11)15-9-21(17-14(15)7-12(18)8-19-17)25(22,23)13-5-3-2-4-6-13;1-6-15-10(5-16-6)9-4-14-11-8(9)2-7(12)3-13-11;7-10(8,9)6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3,(H,13,14);1-5H
• InChIKey: GDGJVCRZBVRJGZ-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 140.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.14
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole?

The IUPAC name of 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole (CID 158221160) is 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole.

What is the SMILES notation for 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole?

The canonical SMILES for 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2c[nH]c3ncc(Br)cc23)cs1.Cc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cs1.O=S(=O)(Cl)c1ccccc1.

What is the InChIKey of 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole?

The InChIKey is GDGJVCRZBVRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2S2.C11H8BrN3S.C6H5ClO2S/c1-11-20-16(10-24-11)15-9-21(17-14(15)7-12(18)8-19-17)25(22,23)13-5-3-2-4-6-13;1-6-15-10(5-16-6)9-4-14-11-8(9)2-7(12)3-13-11;7-10(8,9)6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3,(H,13,14);1-5H.

What are the key properties of 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole?

4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole has a molecular weight of 905.14 g/mol, XLogP of 9.84, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-2-methyl-1,3-thiazole;benzenesulfonyl chloride;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 158221160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).