5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine

C14H12BrN3O2S — CID 67078609

IUPAC5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N)c(Br)cnc32)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18/h2-8H,1H3,(H2,16,17)
InChIKeyHRUZEGDRHISTDQ-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine

5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 67078609) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID67078609
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N)c(Br)cnc32)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18/h2-8H,1H3,(H2,16,17)
InChIKeyHRUZEGDRHISTDQ-UHFFFAOYSA-N
XLogP2.93
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137347373
3-methyl-10-(4-methylphenyl)sulfonyl-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 141466911
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 150240734
(E)-1-[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-3-(dimethylamino)prop-2-en-1-one
CID 86708840
CID 164970592
CID 164970592
4-chloro-5-[(Z)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175140553
2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine
CID 67216563
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
2-bromo-1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]ethanone
CID 58691725
ethyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 135319162

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine (CID 67078609) is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine is Cc1ccc(S(=O)(=O)n2ccc3c(N)c(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is HRUZEGDRHISTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(16)12(15)8-17-14(11)18/h2-8H,1H3,(H2,16,17).
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 366.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 67078609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).