2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

C24H17F2N3O4S2 — CID 73295616

IUPAC2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc(-c3ccc4c(c3)CNC4=O)s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H17F2N3O4S2/c1-33-24-19(29-35(31,32)22-7-3-16(25)10-18(22)26)9-15(12-28-24)21-6-5-20(34-21)13-2-4-17-14(8-13)11-27-23(17)30/h2-10,12,29H,11H2,1H3,(H,27,30)
InChIKeyAYCKWNYTGZACBL-UHFFFAOYSA-N
MW513.55 g/mol
LogP4.81
Rot. Bonds6

About 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 73295616) has the molecular formula C24H17F2N3O4S2 and a molecular weight of 513.55 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID73295616
Molecular FormulaC24H17F2N3O4S2
Molecular Weight513.55 g/mol
Exact Mass513.06
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc(-c3ccc4c(c3)CNC4=O)s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H17F2N3O4S2/c1-33-24-19(29-35(31,32)22-7-3-16(25)10-18(22)26)9-15(12-28-24)21-6-5-20(34-21)13-2-4-17-14(8-13)11-27-23(17)30/h2-10,12,29H,11H2,1H3,(H,27,30)
InChIKeyAYCKWNYTGZACBL-UHFFFAOYSA-N
XLogP4.81
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (CID 73295616) is 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc(-c3ccc4c(c3)CNC4=O)s2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is AYCKWNYTGZACBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O4S2/c1-33-24-19(29-35(31,32)22-7-3-16(25)10-18(22)26)9-15(12-28-24)21-6-5-20(34-21)13-2-4-17-14(8-13)11-27-23(17)30/h2-10,12,29H,11H2,1H3,(H,27,30).
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 513.55 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 73295616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).