N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

C19H23N3O2S — CID 53174152

IUPACN-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cn(CC(C)C)c3ncccc23)c1
InChIInChI=1S/C19H23N3O2S/c1-4-15-7-5-8-16(11-15)21-25(23,24)18-13-22(12-14(2)3)19-17(18)9-6-10-20-19/h5-11,13-14,21H,4,12H2,1-3H3
InChIKeyIQNWCEPUYUZXAF-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.06
Rot. Bonds6

About N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174152) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174152
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cn(CC(C)C)c3ncccc23)c1
InChIInChI=1S/C19H23N3O2S/c1-4-15-7-5-8-16(11-15)21-25(23,24)18-13-22(12-14(2)3)19-17(18)9-6-10-20-19/h5-11,13-14,21H,4,12H2,1-3H3
InChIKeyIQNWCEPUYUZXAF-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174170
N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190
N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174159
N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 171350897
2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 24621325
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53040471
N-(3-ethylphenyl)pyridine-2-sulfonamide
CID 67565790
4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine
CID 53174187
N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174059
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174152) is N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is CCc1cccc(NS(=O)(=O)c2cn(CC(C)C)c3ncccc23)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is IQNWCEPUYUZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-15-7-5-8-16(11-15)21-25(23,24)18-13-22(12-14(2)3)19-17(18)9-6-10-20-19/h5-11,13-14,21H,4,12H2,1-3H3.
What are the key properties of N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).