3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine

C15H15N3O3S — CID 118613151

IUPAC3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine
SMILESCNc1[nH]c2cccnc2c1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H15N3O3S/c1-16-15-14(13-12(18-15)4-3-9-17-13)22(19,20)11-7-5-10(21-2)6-8-11/h3-9,16,18H,1-2H3
InChIKeyAXITWBIHYQBGKV-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.45
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine

3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine (PubChem CID 118613151) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine
PubChem CID118613151
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine
SMILESCNc1[nH]c2cccnc2c1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H15N3O3S/c1-16-15-14(13-12(18-15)4-3-9-17-13)22(19,20)11-7-5-10(21-2)6-8-11/h3-9,16,18H,1-2H3
InChIKeyAXITWBIHYQBGKV-UHFFFAOYSA-N
XLogP2.45
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine (CID 118613151) is 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine is CNc1[nH]c2cccnc2c1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine?
The InChIKey is AXITWBIHYQBGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-16-15-14(13-12(18-15)4-3-9-17-13)22(19,20)11-7-5-10(21-2)6-8-11/h3-9,16,18H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine?
3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine has a molecular weight of 317.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine is sourced from PubChem (CID 118613151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).