4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine

C14H11BrN2O2S — CID 121335226

IUPAC4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1ccc(S(=O)(=O)c2ncc(Br)c3cc[nH]c23)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-9-2-4-10(5-3-9)20(18,19)14-13-11(6-7-16-13)12(15)8-17-14/h2-8,16H,1H3
InChIKeyLQILMUOCUPTRRH-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.47
Rot. Bonds2

About 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine

4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 121335226) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID121335226
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1ccc(S(=O)(=O)c2ncc(Br)c3cc[nH]c23)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-9-2-4-10(5-3-9)20(18,19)14-13-11(6-7-16-13)12(15)8-17-14/h2-8,16H,1H3
InChIKeyLQILMUOCUPTRRH-UHFFFAOYSA-N
XLogP3.47
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334582
3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine
CID 91092393
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141391150
5-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 10889944
4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium
CID 158427674
2,5-dibromo-3,6-bis-(4-methylphenyl)sulfonylcyclohexa-2,5-diene-1,4-dione
CID 23048682
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine (CID 121335226) is 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine is Cc1ccc(S(=O)(=O)c2ncc(Br)c3cc[nH]c23)cc1.
What is the InChIKey of 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is LQILMUOCUPTRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-9-2-4-10(5-3-9)20(18,19)14-13-11(6-7-16-13)12(15)8-17-14/h2-8,16H,1H3.
What are the key properties of 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine?
4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 351.23 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 121335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).