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

C14H12BrN3O2S — CID 60560655

IUPACN-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)c(Br)c1
InChIInChI=1S/C14H12BrN3O2S/c1-9-4-5-12(11(15)7-9)18-21(19,20)13-8-17-14-10(13)3-2-6-16-14/h2-8,18H,1H3,(H,16,17)
InChIKeyQTWZDPPNGFNAGM-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.43
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 60560655) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID60560655
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)c(Br)c1
InChIInChI=1S/C14H12BrN3O2S/c1-9-4-5-12(11(15)7-9)18-21(19,20)13-8-17-14-10(13)3-2-6-16-14/h2-8,18H,1H3,(H,16,17)
InChIKeyQTWZDPPNGFNAGM-UHFFFAOYSA-N
XLogP3.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
3-[(2-bromo-4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596311
N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61168850
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560681
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 116798817
N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 75435532
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300344
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 60560655) is N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is QTWZDPPNGFNAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-4-5-12(11(15)7-9)18-21(19,20)13-8-17-14-10(13)3-2-6-16-14/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 60560655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).