4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol

C20H17N3O4S — CID 50940066

IUPAC4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(O)cc4)c32)cc1
InChIInChI=1S/C20H17N3O4S/c1-27-17-6-8-18(9-7-17)28(25,26)23-13-11-14-10-12-21-20(19(14)23)22-15-2-4-16(24)5-3-15/h2-13,24H,1H3,(H,21,22)
InChIKeyHIHKVVMDCWDQLT-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.73
Rot. Bonds5

About 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol

4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol (PubChem CID 50940066) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol
PubChem CID50940066
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(O)cc4)c32)cc1
InChIInChI=1S/C20H17N3O4S/c1-27-17-6-8-18(9-7-17)28(25,26)23-13-11-14-10-12-21-20(19(14)23)22-15-2-4-16(24)5-3-15/h2-13,24H,1H3,(H,21,22)
InChIKeyHIHKVVMDCWDQLT-UHFFFAOYSA-N
XLogP3.73
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide;hydrochloride
CID 11983308
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940068
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940069
1-(4-methoxy-benzenesulfonyl)-7-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 50940070
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 126720428
4-[1-(4-Methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]phenol
CID 136219396
N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 52944610
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 162655699
1-(3-Methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 162656454
N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 162658258

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol?
The IUPAC name of 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol (CID 50940066) is 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol is COc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(O)cc4)c32)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol?
The InChIKey is HIHKVVMDCWDQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-27-17-6-8-18(9-7-17)28(25,26)23-13-11-14-10-12-21-20(19(14)23)22-15-2-4-16(24)5-3-15/h2-13,24H,1H3,(H,21,22).
What are the key properties of 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol?
4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol has a molecular weight of 395.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol is sourced from PubChem (CID 50940066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).