3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide

C22H23F2N5O4S — CID 129246644

IUPAC3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)c2c([nH]c(-c3ccncc3OCC(F)F)c2Nc2ccccc2)C1
InChIInChI=1S/C22H23F2N5O4S/c1-28(2)34(31,32)29-11-16-20(17(30)12-29)22(26-14-6-4-3-5-7-14)21(27-16)15-8-9-25-10-18(15)33-13-19(23)24/h3-10,19,26-27H,11-13H2,1-2H3
InChIKeyTUEKIOSLKVALMF-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.27
Rot. Bonds8

About 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide

3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide (PubChem CID 129246644) has the molecular formula C22H23F2N5O4S and a molecular weight of 491.52 g/mol. Its IUPAC name is 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
PubChem CID129246644
Molecular FormulaC22H23F2N5O4S
Molecular Weight491.52 g/mol
Exact Mass491.14
IUPAC Name3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(=O)c2c([nH]c(-c3ccncc3OCC(F)F)c2Nc2ccccc2)C1
InChIInChI=1S/C22H23F2N5O4S/c1-28(2)34(31,32)29-11-16-20(17(30)12-29)22(26-14-6-4-3-5-7-14)21(27-16)15-8-9-25-10-18(15)33-13-19(23)24/h3-10,19,26-27H,11-13H2,1-2H3
InChIKeyTUEKIOSLKVALMF-UHFFFAOYSA-N
XLogP3.27
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
The IUPAC name of 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide (CID 129246644) is 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide.
What is the SMILES notation for 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
The canonical SMILES for 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide is CN(C)S(=O)(=O)N1CC(=O)c2c([nH]c(-c3ccncc3OCC(F)F)c2Nc2ccccc2)C1.
What is the InChIKey of 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
The InChIKey is TUEKIOSLKVALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O4S/c1-28(2)34(31,32)29-11-16-20(17(30)12-29)22(26-14-6-4-3-5-7-14)21(27-16)15-8-9-25-10-18(15)33-13-19(23)24/h3-10,19,26-27H,11-13H2,1-2H3.
What are the key properties of 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide?
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide has a molecular weight of 491.52 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide is sourced from PubChem (CID 129246644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).