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

C18H21N3O2S — CID 53174101

IUPACN-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cccc(CC)c2)c2cccnc21
InChIInChI=1S/C18H21N3O2S/c1-3-11-21-13-17(16-9-6-10-19-18(16)21)24(22,23)20-15-8-5-7-14(4-2)12-15/h5-10,12-13,20H,3-4,11H2,1-2H3
InChIKeyJSVABWHIANLCCQ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.81
Rot. Bonds6

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

N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174101) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174101
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cccc(CC)c2)c2cccnc21
InChIInChI=1S/C18H21N3O2S/c1-3-11-21-13-17(16-9-6-10-19-18(16)21)24(22,23)20-15-8-5-7-14(4-2)12-15/h5-10,12-13,20H,3-4,11H2,1-2H3
InChIKeyJSVABWHIANLCCQ-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174129
N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174170
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
1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174225
1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174219
N-(3-ethylphenyl)pyridine-2-sulfonamide
CID 67565790
1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174135
N-(3-ethylphenyl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 53144493

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174101) is N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cccc(CC)c2)c2cccnc21.
What is the InChIKey of N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is JSVABWHIANLCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-11-21-13-17(16-9-6-10-19-18(16)21)24(22,23)20-15-8-5-7-14(4-2)12-15/h5-10,12-13,20H,3-4,11H2,1-2H3.
What are the key properties of N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.81, 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-propylpyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).