4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C19H17FN4O4S2 — CID 4853615

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H17FN4O4S2/c20-14-5-4-13(11-17(14)30(26,27)24-7-9-28-10-8-24)18(25)23-19-22-16(12-29-19)15-3-1-2-6-21-15/h1-6,11-12H,7-10H2,(H,22,23,25)
InChIKeyXMZNNMZQQHZVPW-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.62
Rot. Bonds5

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4853615) has the molecular formula C19H17FN4O4S2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4853615
Molecular FormulaC19H17FN4O4S2
Molecular Weight448.50 g/mol
Exact Mass448.07
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H17FN4O4S2/c20-14-5-4-13(11-17(14)30(26,27)24-7-9-28-10-8-24)18(25)23-19-22-16(12-29-19)15-3-1-2-6-21-15/h1-6,11-12H,7-10H2,(H,22,23,25)
InChIKeyXMZNNMZQQHZVPW-UHFFFAOYSA-N
XLogP2.62
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4853615) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XMZNNMZQQHZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S2/c20-14-5-4-13(11-17(14)30(26,27)24-7-9-28-10-8-24)18(25)23-19-22-16(12-29-19)15-3-1-2-6-21-15/h1-6,11-12H,7-10H2,(H,22,23,25).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 448.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4853615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).