N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C14H13N3O3S — CID 53173964

IUPACN-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1
InChIInChI=1S/C14H13N3O3S/c1-20-11-5-2-4-10(8-11)17-21(18,19)13-9-16-14-12(13)6-3-7-15-14/h2-9,17H,1H3,(H,15,16)
InChIKeyXGFUVDVESHJARX-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.37
Rot. Bonds4

About N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53173964) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53173964
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1
InChIInChI=1S/C14H13N3O3S/c1-20-11-5-2-4-10(8-11)17-21(18,19)13-9-16-14-12(13)6-3-7-15-14/h2-9,17H,1H3,(H,15,16)
InChIKeyXGFUVDVESHJARX-UHFFFAOYSA-N
XLogP2.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53173964) is N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is COc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is XGFUVDVESHJARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-11-5-2-4-10(8-11)17-21(18,19)13-9-16-14-12(13)6-3-7-15-14/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53173964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).