2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

C22H19F2N5O4S2 — CID 162371682

IUPAC2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cc3c(N4CCOCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N5O4S2/c1-32-21-17(28-35(30,31)19-3-2-14(23)9-16(19)24)8-13(11-25-21)18-10-15-20(26-12-27-22(15)34-18)29-4-6-33-7-5-29/h2-3,8-12,28H,4-7H2,1H3
InChIKeyHFDGVAZLABKEEV-UHFFFAOYSA-N
MW519.56 g/mol
LogP3.68
Rot. Bonds6

About 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 162371682) has the molecular formula C22H19F2N5O4S2 and a molecular weight of 519.56 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID162371682
Molecular FormulaC22H19F2N5O4S2
Molecular Weight519.56 g/mol
Exact Mass519.08
IUPAC Name2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cc3c(N4CCOCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N5O4S2/c1-32-21-17(28-35(30,31)19-3-2-14(23)9-16(19)24)8-13(11-25-21)18-10-15-20(26-12-27-22(15)34-18)29-4-6-33-7-5-29/h2-3,8-12,28H,4-7H2,1H3
InChIKeyHFDGVAZLABKEEV-UHFFFAOYSA-N
XLogP3.68
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 162371682) is 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cc3c(N4CCOCC4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is HFDGVAZLABKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O4S2/c1-32-21-17(28-35(30,31)19-3-2-14(23)9-16(19)24)8-13(11-25-21)18-10-15-20(26-12-27-22(15)34-18)29-4-6-33-7-5-29/h2-3,8-12,28H,4-7H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 519.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 162371682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).