N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide

C17H19N3O2S — CID 53174059

IUPACN-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C(C)C)c3ncccc23)cc1
InChIInChI=1S/C17H19N3O2S/c1-12(2)20-11-16(15-5-4-10-18-17(15)20)23(21,22)19-14-8-6-13(3)7-9-14/h4-12,19H,1-3H3
InChIKeyREGZGRILBXIOKJ-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.73
Rot. Bonds4

About N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide

N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174059) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174059
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C(C)C)c3ncccc23)cc1
InChIInChI=1S/C17H19N3O2S/c1-12(2)20-11-16(15-5-4-10-18-17(15)20)23(21,22)19-14-8-6-13(3)7-9-14/h4-12,19H,1-3H3
InChIKeyREGZGRILBXIOKJ-UHFFFAOYSA-N
XLogP3.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174001
3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
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
N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152
N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032
1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
CID 53008183
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174059) is N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C(C)C)c3ncccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is REGZGRILBXIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(2)20-11-16(15-5-4-10-18-17(15)20)23(21,22)19-14-8-6-13(3)7-9-14/h4-12,19H,1-3H3.
What are the key properties of N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).