N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide

C91H73Cl4FN14O16S5 — CID 159198789

IUPACN-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2cc(F)ccn2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccncc23)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1
InChIInChI=1S/C24H19ClN4O4S.C23H19ClN4O4S.C23H18ClN3O4S2.C21H17ClFN3O4S/c25-22-6-3-18(13-20(22)23-21-14-26-9-7-16(21)8-10-27-23)28-24(30)17-1-4-19(5-2-17)29-15-33-11-12-34(29,31)32;24-20-6-3-17(13-19(20)22-21-15(7-9-25-21)8-10-26-22)27-23(29)16-1-4-18(5-2-16)28-14-32-11-12-33(28,30)31;24-20-6-3-16(13-19(20)22-18-8-11-32-21(18)7-9-25-22)26-23(28)15-1-4-17(5-2-15)27-14-31-10-12-33(27,29)30;22-19-6-3-16(12-18(19)20-11-15(23)7-8-24-20)25-21(27)14-1-4-17(5-2-14)26-13-30-9-10-31(26,28)29/h1-10,13-14H,11-12,15H2,(H,28,30);1-10,13,25H,11-12,14H2,(H,27,29);1-9,11,13H,10,12,14H2,(H,26,28);1-8,11-12H,9-10,13H2,(H,25,27)
InChIKeyKOZYMPDJMWUGAL-UHFFFAOYSA-N
MW1939.81 g/mol
LogP17.50
Rot. Bonds16

About N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide

N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide (PubChem CID 159198789) has the molecular formula C91H73Cl4FN14O16S5 and a molecular weight of 1939.81 g/mol. Its IUPAC name is N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
PubChem CID159198789
Molecular FormulaC91H73Cl4FN14O16S5
Molecular Weight1939.81 g/mol
Exact Mass1936.27
IUPAC NameN-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2cc(F)ccn2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccncc23)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1
InChIInChI=1S/C24H19ClN4O4S.C23H19ClN4O4S.C23H18ClN3O4S2.C21H17ClFN3O4S/c25-22-6-3-18(13-20(22)23-21-14-26-9-7-16(21)8-10-27-23)28-24(30)17-1-4-19(5-2-17)29-15-33-11-12-34(29,31)32;24-20-6-3-17(13-19(20)22-21-15(7-9-25-21)8-10-26-22)27-23(29)16-1-4-18(5-2-16)28-14-32-11-12-33(28,30)31;24-20-6-3-16(13-19(20)22-18-8-11-32-21(18)7-9-25-22)26-23(28)15-1-4-17(5-2-15)27-14-31-10-12-33(27,29)30;22-19-6-3-16(12-18(19)20-11-15(23)7-8-24-20)25-21(27)14-1-4-17(5-2-14)26-13-30-9-10-31(26,28)29/h1-10,13-14H,11-12,15H2,(H,28,30);1-10,13,25H,11-12,14H2,(H,27,29);1-9,11,13H,10,12,14H2,(H,26,28);1-8,11-12H,9-10,13H2,(H,25,27)
InChIKeyKOZYMPDJMWUGAL-UHFFFAOYSA-N
XLogP17.50
TPSA383.08 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.81
LogP ≤ 517.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide (CID 159198789) is N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2cc(F)ccn2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccncc23)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The InChIKey is KOZYMPDJMWUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4S.C23H19ClN4O4S.C23H18ClN3O4S2.C21H17ClFN3O4S/c25-22-6-3-18(13-20(22)23-21-14-26-9-7-16(21)8-10-27-23)28-24(30)17-1-4-19(5-2-17)29-15-33-11-12-34(29,31)32;24-20-6-3-17(13-19(20)22-21-15(7-9-25-21)8-10-26-22)27-23(29)16-1-4-18(5-2-16)28-14-32-11-12-33(28,30)31;24-20-6-3-16(13-19(20)22-18-8-11-32-21(18)7-9-25-22)26-23(28)15-1-4-17(5-2-15)27-14-31-10-12-33(27,29)30;22-19-6-3-16(12-18(19)20-11-15(23)7-8-24-20)25-21(27)14-1-4-17(5-2-14)26-13-30-9-10-31(26,28)29/h1-10,13-14H,11-12,15H2,(H,28,30);1-10,13,25H,11-12,14H2,(H,27,29);1-9,11,13H,10,12,14H2,(H,26,28);1-8,11-12H,9-10,13H2,(H,25,27).
What are the key properties of N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide has a molecular weight of 1939.81 g/mol, XLogP of 17.50, 16 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide is sourced from PubChem (CID 159198789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).