2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide

C23H16F2N4O3S2 — CID 73297195

IUPAC2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1Cc2cc(-c3ncc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O
InChIInChI=1S/C23H16F2N4O3S2/c1-29-12-15-6-13(2-4-18(15)23(29)30)22-27-11-20(33-22)14-7-17(10-26-9-14)28-34(31,32)21-5-3-16(24)8-19(21)25/h2-11,28H,12H2,1H3
InChIKeyACEHDIHDHPOJNX-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.54
Rot. Bonds5

About 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 73297195) has the molecular formula C23H16F2N4O3S2 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID73297195
Molecular FormulaC23H16F2N4O3S2
Molecular Weight498.54 g/mol
Exact Mass498.06
IUPAC Name2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1Cc2cc(-c3ncc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O
InChIInChI=1S/C23H16F2N4O3S2/c1-29-12-15-6-13(2-4-18(15)23(29)30)22-27-11-20(33-22)14-7-17(10-26-9-14)28-34(31,32)21-5-3-16(24)8-19(21)25/h2-11,28H,12H2,1H3
InChIKeyACEHDIHDHPOJNX-UHFFFAOYSA-N
XLogP4.54
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide (CID 73297195) is 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide is CN1Cc2cc(-c3ncc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O.
What is the InChIKey of 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is ACEHDIHDHPOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O3S2/c1-29-12-15-6-13(2-4-18(15)23(29)30)22-27-11-20(33-22)14-7-17(10-26-9-14)28-34(31,32)21-5-3-16(24)8-19(21)25/h2-11,28H,12H2,1H3.
What are the key properties of 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 498.54 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,3-thiazol-5-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 73297195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).