4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

C17H17N3O2S — CID 23648920

IUPAC4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1
InChIInChI=1S/C17H17N3O2S/c21-23(22,20-11-1-2-12-20)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10H,1-2,11-12H2,(H,18,19)
InChIKeyVJXSEEBNAAMNLS-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.01
Rot. Bonds3

About 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 23648920) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID23648920
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1
InChIInChI=1S/C17H17N3O2S/c21-23(22,20-11-1-2-12-20)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10H,1-2,11-12H2,(H,18,19)
InChIKeyVJXSEEBNAAMNLS-UHFFFAOYSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl}thiophene-2-Sulfonamide
CID 25118862
N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide
CID 59744451
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-methyl-3-[[6-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 67995956
N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 67996291
N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109
N-methyl-3-[[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 70649110
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
N-(2-Aminoethyl)-5-{1h-Pyrrolo[2,3-B]pyridin-3-Yl}thiophene-2-Sulfonamide
CID 71581422
4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 23648920) is 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VJXSEEBNAAMNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-23(22,20-11-1-2-12-20)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10H,1-2,11-12H2,(H,18,19).
What are the key properties of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 327.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 23648920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).