4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide

C101H91FN14O14S6 — CID 158606831

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.O=C(Nc1cccc(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=S(=O)(Nc1ccc(F)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C26H23N3O3S.C25H22FN3O4S2.C25H24N4O4S2.C25H22N4O3S/c30-26(20-10-12-23(13-11-20)29-16-3-4-17-33(29,31)32)28-22-8-5-7-21(18-22)25-24-9-2-1-6-19(24)14-15-27-25;26-24-12-7-19(17-23(24)25-22-6-2-1-5-18(22)13-14-27-25)28-35(32,33)21-10-8-20(9-11-21)29-15-3-4-16-34(29,30)31;1-18-6-7-19(17-22(18)23-12-13-24-25(27-23)5-4-14-26-24)28-35(32,33)21-10-8-20(9-11-21)29-15-2-3-16-34(29,30)31;30-25(18-8-10-21(11-9-18)29-15-1-2-16-33(29,31)32)27-20-6-3-5-19(17-20)22-12-13-23-24(28-22)7-4-14-26-23/h1-2,5-15,18H,3-4,16-17H2,(H,28,30);1-2,5-14,17,28H,3-4,15-16H2;4-14,17,28H,2-3,15-16H2,1H3;3-14,17H,1-2,15-16H2,(H,27,30)
InChIKeyHWIGGPOGBWFMFX-UHFFFAOYSA-N
MW1936.32 g/mol
LogP18.67
Rot. Bonds18

About 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide

4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 158606831) has the molecular formula C101H91FN14O14S6 and a molecular weight of 1936.32 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
PubChem CID158606831
Molecular FormulaC101H91FN14O14S6
Molecular Weight1936.32 g/mol
Exact Mass1934.51
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.O=C(Nc1cccc(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=S(=O)(Nc1ccc(F)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C26H23N3O3S.C25H22FN3O4S2.C25H24N4O4S2.C25H22N4O3S/c30-26(20-10-12-23(13-11-20)29-16-3-4-17-33(29,31)32)28-22-8-5-7-21(18-22)25-24-9-2-1-6-19(24)14-15-27-25;26-24-12-7-19(17-23(24)25-22-6-2-1-5-18(22)13-14-27-25)28-35(32,33)21-10-8-20(9-11-21)29-15-3-4-16-34(29,30)31;1-18-6-7-19(17-22(18)23-12-13-24-25(27-23)5-4-14-26-24)28-35(32,33)21-10-8-20(9-11-21)29-15-2-3-16-34(29,30)31;30-25(18-8-10-21(11-9-18)29-15-1-2-16-33(29,31)32)27-20-6-3-5-19(17-20)22-12-13-23-24(28-22)7-4-14-26-23/h1-2,5-15,18H,3-4,16-17H2,(H,28,30);1-2,5-14,17,28H,3-4,15-16H2;4-14,17,28H,2-3,15-16H2,1H3;3-14,17H,1-2,15-16H2,(H,27,30)
InChIKeyHWIGGPOGBWFMFX-UHFFFAOYSA-N
XLogP18.67
TPSA377.40 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.32
LogP ≤ 518.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide with MolForge

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzamide
CID 90129780
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90129987
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90130091
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide
CID 90130105
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 118462988
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 118463114
4-amino-N-[4-[4-(3,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 149674514
4-amino-N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 149892986
4-amino-N-[4-[2,6-dimethyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 149923742
4-amino-N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 149942707
4-amino-N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 150498828
4-amino-N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 150809251

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide (CID 158606831) is 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.O=C(Nc1cccc(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=S(=O)(Nc1ccc(F)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is HWIGGPOGBWFMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S.C25H22FN3O4S2.C25H24N4O4S2.C25H22N4O3S/c30-26(20-10-12-23(13-11-20)29-16-3-4-17-33(29,31)32)28-22-8-5-7-21(18-22)25-24-9-2-1-6-19(24)14-15-27-25;26-24-12-7-19(17-23(24)25-22-6-2-1-5-18(22)13-14-27-25)28-35(32,33)21-10-8-20(9-11-21)29-15-3-4-16-34(29,30)31;1-18-6-7-19(17-22(18)23-12-13-24-25(27-23)5-4-14-26-24)28-35(32,33)21-10-8-20(9-11-21)29-15-2-3-16-34(29,30)31;30-25(18-8-10-21(11-9-18)29-15-1-2-16-33(29,31)32)27-20-6-3-5-19(17-20)22-12-13-23-24(28-22)7-4-14-26-23/h1-2,5-15,18H,3-4,16-17H2,(H,28,30);1-2,5-14,17,28H,3-4,15-16H2;4-14,17,28H,2-3,15-16H2,1H3;3-14,17H,1-2,15-16H2,(H,27,30).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 1936.32 g/mol, XLogP of 18.67, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 158606831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).