5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide

C14H10FN3O4S — CID 166400283

IUPAC5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide
SMILESO=S(=O)(Nc1cnc2[nH]ccc2c1)c1c(F)ccc2c1OCO2
InChIInChI=1S/C14H10FN3O4S/c15-10-1-2-11-12(22-7-21-11)13(10)23(19,20)18-9-5-8-3-4-16-14(8)17-6-9/h1-6,18H,7H2,(H,16,17)
InChIKeyMWVNEIIVIUXDFY-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.23
Rot. Bonds3

About 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide

5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide (PubChem CID 166400283) has the molecular formula C14H10FN3O4S and a molecular weight of 335.32 g/mol. Its IUPAC name is 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide
PubChem CID166400283
Molecular FormulaC14H10FN3O4S
Molecular Weight335.32 g/mol
Exact Mass335.04
IUPAC Name5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide
SMILESO=S(=O)(Nc1cnc2[nH]ccc2c1)c1c(F)ccc2c1OCO2
InChIInChI=1S/C14H10FN3O4S/c15-10-1-2-11-12(22-7-21-11)13(10)23(19,20)18-9-5-8-3-4-16-14(8)17-6-9/h1-6,18H,7H2,(H,16,17)
InChIKeyMWVNEIIVIUXDFY-UHFFFAOYSA-N
XLogP2.23
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide with MolForge

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Related Compounds

N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 58086052
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 22273641
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997
N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418454
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide
CID 162476581
N-(4-ethyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 138711418
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,6-difluorobenzenesulfonamide
CID 3714475
2-fluoro-N-(1H-indol-6-yl)benzenesulfonamide
CID 71954733
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
3-amino-N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]benzenesulfonamide
CID 44579541

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide?
The IUPAC name of 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide (CID 166400283) is 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide?
The canonical SMILES for 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide is O=S(=O)(Nc1cnc2[nH]ccc2c1)c1c(F)ccc2c1OCO2.
What is the InChIKey of 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide?
The InChIKey is MWVNEIIVIUXDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O4S/c15-10-1-2-11-12(22-7-21-11)13(10)23(19,20)18-9-5-8-3-4-16-14(8)17-6-9/h1-6,18H,7H2,(H,16,17).
What are the key properties of 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide?
5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide has a molecular weight of 335.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-benzodioxole-4-sulfonamide is sourced from PubChem (CID 166400283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).