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

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

4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
CID 155676859
5,8-bis[(4-methoxyphenyl)sulfonyl]quinoxaline
CID 71186031
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
methyl 3-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 138558600
methyl 3-[[4-(methylsulfamoyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 138558799
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
lithium 3-(benzenesulfonyl)-5-methoxy-1H-indole-2-sulfinate
CID 70493068
4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 16604844
N-(4-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303586
4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine
CID 54189244

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).