N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide

C15H15N3O3S — CID 53174001

IUPACN-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)c3ncccc23)cc1
InChIInChI=1S/C15H15N3O3S/c1-18-10-14(13-4-3-9-16-15(13)18)22(19,20)17-11-5-7-12(21-2)8-6-11/h3-10,17H,1-2H3
InChIKeyUMDMOIDDUMFJRO-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.38
Rot. Bonds4

About N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide

N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174001) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174001
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)c3ncccc23)cc1
InChIInChI=1S/C15H15N3O3S/c1-18-10-14(13-4-3-9-16-15(13)18)22(19,20)17-11-5-7-12(21-2)8-6-11/h3-10,17H,1-2H3
InChIKeyUMDMOIDDUMFJRO-UHFFFAOYSA-N
XLogP2.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174059
N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174002
N-(4-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303586
N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide
CID 166752299
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 171350897
7-methoxy-N-phenylquinoline-4-sulfonamide
CID 69089978
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174001) is N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(C)c3ncccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is UMDMOIDDUMFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-18-10-14(13-4-3-9-16-15(13)18)22(19,20)17-11-5-7-12(21-2)8-6-11/h3-10,17H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).