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

C95H81Cl4FN14O12S5 — CID 157195184

IUPACN-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2cc(F)ccn2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccncc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C25H21ClN4O3S.C24H21ClN4O3S.C24H20ClN3O3S2.C22H19ClFN3O3S/c26-23-8-5-19(15-21(23)24-22-16-27-11-9-17(22)10-12-28-24)29-25(31)18-3-6-20(7-4-18)30-13-1-2-14-34(30,32)33;25-21-8-5-18(15-20(21)23-22-16(9-11-26-22)10-12-27-23)28-24(30)17-3-6-19(7-4-17)29-13-1-2-14-33(29,31)32;25-21-8-5-17(15-20(21)23-19-10-13-32-22(19)9-11-26-23)27-24(29)16-3-6-18(7-4-16)28-12-1-2-14-33(28,30)31;23-20-8-5-17(14-19(20)21-13-16(24)9-10-25-21)26-22(28)15-3-6-18(7-4-15)27-11-1-2-12-31(27,29)30/h3-12,15-16H,1-2,13-14H2,(H,29,31);3-12,15,26H,1-2,13-14H2,(H,28,30);3-11,13,15H,1-2,12,14H2,(H,27,29);3-10,13-14H,1-2,11-12H2,(H,26,28)
InChIKeyAQDWGZGPNXRWPU-UHFFFAOYSA-N
MW1931.92 g/mol
LogP20.72
Rot. Bonds16

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

N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 157195184) has the molecular formula C95H81Cl4FN14O12S5 and a molecular weight of 1931.92 g/mol. Its IUPAC name is N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID157195184
Molecular FormulaC95H81Cl4FN14O12S5
Molecular Weight1931.92 g/mol
Exact Mass1928.35
IUPAC NameN-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2cc(F)ccn2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccncc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C25H21ClN4O3S.C24H21ClN4O3S.C24H20ClN3O3S2.C22H19ClFN3O3S/c26-23-8-5-19(15-21(23)24-22-16-27-11-9-17(22)10-12-28-24)29-25(31)18-3-6-20(7-4-18)30-13-1-2-14-34(30,32)33;25-21-8-5-18(15-20(21)23-22-16(9-11-26-22)10-12-27-23)28-24(30)17-3-6-19(7-4-17)29-13-1-2-14-33(29,31)32;25-21-8-5-17(15-20(21)23-19-10-13-32-22(19)9-11-26-23)27-24(29)16-3-6-18(7-4-16)28-12-1-2-14-33(28,30)31;23-20-8-5-17(14-19(20)21-13-16(24)9-10-25-21)26-22(28)15-3-6-18(7-4-15)27-11-1-2-12-31(27,29)30/h3-12,15-16H,1-2,13-14H2,(H,29,31);3-12,15,26H,1-2,13-14H2,(H,28,30);3-11,13,15H,1-2,12,14H2,(H,27,29);3-10,13-14H,1-2,11-12H2,(H,26,28)
InChIKeyAQDWGZGPNXRWPU-UHFFFAOYSA-N
XLogP20.72
TPSA346.16 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms131
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.92
LogP ≤ 520.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-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-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 157195184) is N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2cc(F)ccn2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccncc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3sccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is AQDWGZGPNXRWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3S.C24H21ClN4O3S.C24H20ClN3O3S2.C22H19ClFN3O3S/c26-23-8-5-19(15-21(23)24-22-16-27-11-9-17(22)10-12-28-24)29-25(31)18-3-6-20(7-4-18)30-13-1-2-14-34(30,32)33;25-21-8-5-18(15-20(21)23-22-16(9-11-26-22)10-12-27-23)28-24(30)17-3-6-19(7-4-17)29-13-1-2-14-33(29,31)32;25-21-8-5-17(15-20(21)23-19-10-13-32-22(19)9-11-26-23)27-24(29)16-3-6-18(7-4-16)28-12-1-2-14-33(28,30)31;23-20-8-5-17(14-19(20)21-13-16(24)9-10-25-21)26-22(28)15-3-6-18(7-4-15)27-11-1-2-12-31(27,29)30/h3-12,15-16H,1-2,13-14H2,(H,29,31);3-12,15,26H,1-2,13-14H2,(H,28,30);3-11,13,15H,1-2,12,14H2,(H,27,29);3-10,13-14H,1-2,11-12H2,(H,26,28).
What are the key properties of N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 1931.92 g/mol, XLogP of 20.72, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(2,7-naphthyridin-1-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-thieno[3,2-c]pyridin-4-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 157195184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).