[2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C14H8FN3O3S — CID 90025907

IUPAC[2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(N=S(=O)=O)c1F)c1c[nH]c2ncccc12
InChIInChI=1S/C14H8FN3O3S/c15-12-9(3-1-5-11(12)18-22(20)21)13(19)10-7-17-14-8(10)4-2-6-16-14/h1-7H,(H,16,17)
InChIKeyXBHORLVSNRPLRA-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.63
Rot. Bonds3

About [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 90025907) has the molecular formula C14H8FN3O3S and a molecular weight of 317.30 g/mol. Its IUPAC name is [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID90025907
Molecular FormulaC14H8FN3O3S
Molecular Weight317.30 g/mol
Exact Mass317.03
IUPAC Name[2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(N=S(=O)=O)c1F)c1c[nH]c2ncccc12
InChIInChI=1S/C14H8FN3O3S/c15-12-9(3-1-5-11(12)18-22(20)21)13(19)10-7-17-14-8(10)4-2-6-16-14/h1-7H,(H,16,17)
InChIKeyXBHORLVSNRPLRA-UHFFFAOYSA-N
XLogP2.63
TPSA92.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
(2-bromo-4-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339392
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376
(3-amino-6-chloro-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68670468
(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43463223
4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520147

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 90025907) is [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cccc(N=S(=O)=O)c1F)c1c[nH]c2ncccc12.
What is the InChIKey of [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is XBHORLVSNRPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3S/c15-12-9(3-1-5-11(12)18-22(20)21)13(19)10-7-17-14-8(10)4-2-6-16-14/h1-7H,(H,16,17).
What are the key properties of [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 317.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(sulfonylamino)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 90025907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).