5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C12H10BrN5O2S — CID 166317097

IUPAC5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccncn1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C12H10BrN5O2S/c13-8-3-10-11(6-16-12(10)15-4-8)21(19,20)18-5-9-1-2-14-7-17-9/h1-4,6-7,18H,5H2,(H,15,16)
InChIKeyLKPZLHYIXBZOHT-UHFFFAOYSA-N
MW368.22 g/mol
LogP1.59
Rot. Bonds4

About 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 166317097) has the molecular formula C12H10BrN5O2S and a molecular weight of 368.22 g/mol. Its IUPAC name is 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID166317097
Molecular FormulaC12H10BrN5O2S
Molecular Weight368.22 g/mol
Exact Mass366.97
IUPAC Name5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccncn1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C12H10BrN5O2S/c13-8-3-10-11(6-16-12(10)15-4-8)21(19,20)18-5-9-1-2-14-7-17-9/h1-4,6-7,18H,5H2,(H,15,16)
InChIKeyLKPZLHYIXBZOHT-UHFFFAOYSA-N
XLogP1.59
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 154763654
5-(aminomethyl)-2-bromo-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092595
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
5-bromo-3-methyl-N-(pyrimidin-4-ylmethyl)triazole-4-sulfonamide
CID 114112066
4-chloro-3-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092537
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350
2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide
CID 62157635
5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide
CID 114112495
2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid
CID 167781465
5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106001980
5-methyl-N-(pyrimidin-4-ylmethyl)pyridin-3-amine
CID 107584713
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 156782671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 166317097) is 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(NCc1ccncn1)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is LKPZLHYIXBZOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O2S/c13-8-3-10-11(6-16-12(10)15-4-8)21(19,20)18-5-9-1-2-14-7-17-9/h1-4,6-7,18H,5H2,(H,15,16).
What are the key properties of 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 368.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 166317097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).