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

C17H19N3O2S — CID 53174043

IUPAC1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccc2C)c2cccnc21
InChIInChI=1S/C17H19N3O2S/c1-3-20-12-16(15-9-6-10-18-17(15)20)23(21,22)19-11-14-8-5-4-7-13(14)2/h4-10,12,19H,3,11H2,1-2H3
InChIKeyXURPKPGCKPNFNU-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.84
Rot. Bonds5

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

1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174043) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174043
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccc2C)c2cccnc21
InChIInChI=1S/C17H19N3O2S/c1-3-20-12-16(15-9-6-10-18-17(15)20)23(21,22)19-11-14-8-5-4-7-13(14)2/h4-10,12,19H,3,11H2,1-2H3
InChIKeyXURPKPGCKPNFNU-UHFFFAOYSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174135
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 53144736
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53040471
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032
N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174002
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173158
1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174219
1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174225
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
2,4,5-trimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174043) is 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccccc2C)c2cccnc21.
What is the InChIKey of 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is XURPKPGCKPNFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-20-12-16(15-9-6-10-18-17(15)20)23(21,22)19-11-14-8-5-4-7-13(14)2/h4-10,12,19H,3,11H2,1-2H3.
What are the key properties of 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).