5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine

C21H20FN3O4S2 — CID 90314060

IUPAC5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)cn1
InChIInChI=1S/C21H20FN3O4S2/c22-19-13-15(5-7-17(19)16-6-8-21(23)24-14-16)18-3-1-2-4-20(18)31(28,29)25-9-11-30(26,27)12-10-25/h1-8,13-14H,9-12H2,(H2,23,24)
InChIKeyOZUGMMSCUCSINQ-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.56
Rot. Bonds4

About 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine

5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine (PubChem CID 90314060) has the molecular formula C21H20FN3O4S2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine
PubChem CID90314060
Molecular FormulaC21H20FN3O4S2
Molecular Weight461.54 g/mol
Exact Mass461.09
IUPAC Name5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)cn1
InChIInChI=1S/C21H20FN3O4S2/c22-19-13-15(5-7-17(19)16-6-8-21(23)24-14-16)18-3-1-2-4-20(18)31(28,29)25-9-11-30(26,27)12-10-25/h1-8,13-14H,9-12H2,(H2,23,24)
InChIKeyOZUGMMSCUCSINQ-UHFFFAOYSA-N
XLogP2.56
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine?
The IUPAC name of 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine (CID 90314060) is 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine?
The canonical SMILES for 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine is Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)cn1.
What is the InChIKey of 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine?
The InChIKey is OZUGMMSCUCSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S2/c22-19-13-15(5-7-17(19)16-6-8-21(23)24-14-16)18-3-1-2-4-20(18)31(28,29)25-9-11-30(26,27)12-10-25/h1-8,13-14H,9-12H2,(H2,23,24).
What are the key properties of 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine?
5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine has a molecular weight of 461.54 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine is sourced from PubChem (CID 90314060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).