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

C16H16FN3O2S — CID 53174032

IUPAC1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)cc2C)c2cccnc21
InChIInChI=1S/C16H16FN3O2S/c1-3-20-10-15(13-5-4-8-18-16(13)20)23(21,22)19-14-7-6-12(17)9-11(14)2/h4-10,19H,3H2,1-2H3
InChIKeyUVOAPAGSJBGMOZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.30
Rot. Bonds4

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

1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174032) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174032
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)cc2C)c2cccnc21
InChIInChI=1S/C16H16FN3O2S/c1-3-20-10-15(13-5-4-8-18-16(13)20)23(21,22)19-14-7-6-12(17)9-11(14)2/h4-10,19H,3H2,1-2H3
InChIKeyUVOAPAGSJBGMOZ-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174129
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 55044474
1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174043
N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174170
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
N-(4-fluoro-2-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300908
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144316
N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174032) is 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(F)cc2C)c2cccnc21.
What is the InChIKey of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is UVOAPAGSJBGMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-3-20-10-15(13-5-4-8-18-16(13)20)23(21,22)19-14-7-6-12(17)9-11(14)2/h4-10,19H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 333.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).