4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide

C103H93N13O13S5 — CID 157427104

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ccc3ccccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C26H25N3O4S2.2C26H23N3O3S.C25H22N4O3S/c1-19-8-9-21(18-25(19)26-24-7-3-2-6-20(24)14-15-27-26)28-35(32,33)23-12-10-22(11-13-23)29-16-4-5-17-34(29,30)31;30-26(20-10-13-23(14-11-20)29-16-3-4-17-33(29,31)32)27-22-8-5-7-21(18-22)25-15-12-19-6-1-2-9-24(19)28-25;30-26(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;30-25(18-8-10-21(11-9-18)29-15-1-2-16-33(29,31)32)28-20-6-3-5-19(17-20)24-22-7-4-13-26-23(22)12-14-27-24/h2-3,6-15,18,28H,4-5,16-17H2,1H3;1-2,5-15,18H,3-4,16-17H2,(H,27,30);1-2,5-15,18H,3-4,16-17H2,(H,28,30);3-14,17H,1-2,15-16H2,(H,28,30)
InChIKeyBQBXHQNJXXHHEO-UHFFFAOYSA-N
MW1881.29 g/mol
LogP19.59
Rot. Bonds17

About 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide

4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide (PubChem CID 157427104) has the molecular formula C103H93N13O13S5 and a molecular weight of 1881.29 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
PubChem CID157427104
Molecular FormulaC103H93N13O13S5
Molecular Weight1881.29 g/mol
Exact Mass1879.56
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ccc3ccccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C26H25N3O4S2.2C26H23N3O3S.C25H22N4O3S/c1-19-8-9-21(18-25(19)26-24-7-3-2-6-20(24)14-15-27-26)28-35(32,33)23-12-10-22(11-13-23)29-16-4-5-17-34(29,30)31;30-26(20-10-13-23(14-11-20)29-16-3-4-17-33(29,31)32)27-22-8-5-7-21(18-22)25-15-12-19-6-1-2-9-24(19)28-25;30-26(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;30-25(18-8-10-21(11-9-18)29-15-1-2-16-33(29,31)32)28-20-6-3-5-19(17-20)24-22-7-4-13-26-23(22)12-14-27-24/h2-3,6-15,18,28H,4-5,16-17H2,1H3;1-2,5-15,18H,3-4,16-17H2,(H,27,30);1-2,5-15,18H,3-4,16-17H2,(H,28,30);3-14,17H,1-2,15-16H2,(H,28,30)
InChIKeyBQBXHQNJXXHHEO-UHFFFAOYSA-N
XLogP19.59
TPSA347.44 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.29
LogP ≤ 519.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide with MolForge

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Related Compounds

Quinolinium, 1-methyl-6-(p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
CID 205947
Quinolinium, 1,6-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
CID 206458
Quinolinium, 1-methyl-6-((p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)phenyl)carbamoyl)-, di-p-toluenesulfonate
CID 208957
Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate
CID 3052474
4-[(1,8-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 21151524
bis(4-methylbenzenesulfonate);N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide
CID 21151525
bis(4-methylbenzenesulfonate);4-N-(1-methylquinolin-1-ium-7-yl)-1-N-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 85704407
N-[4-[(7-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide;bis(4-methylbenzenesulfonate)
CID 86215580
N-[4-[(7-acetamido-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide;bis(4-methylbenzenesulfonate)
CID 86215583
N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]phenyl]phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 90669828
bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-7-yl)-4-[4-[4-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]phenyl]phenyl]benzamide
CID 90669835
bis(4-methylbenzenesulfonate);4-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]benzamide
CID 90669892

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide (CID 157427104) is 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ccc3ccccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide?
The InChIKey is BQBXHQNJXXHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S2.2C26H23N3O3S.C25H22N4O3S/c1-19-8-9-21(18-25(19)26-24-7-3-2-6-20(24)14-15-27-26)28-35(32,33)23-12-10-22(11-13-23)29-16-4-5-17-34(29,30)31;30-26(20-10-13-23(14-11-20)29-16-3-4-17-33(29,31)32)27-22-8-5-7-21(18-22)25-15-12-19-6-1-2-9-24(19)28-25;30-26(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;30-25(18-8-10-21(11-9-18)29-15-1-2-16-33(29,31)32)28-20-6-3-5-19(17-20)24-22-7-4-13-26-23(22)12-14-27-24/h2-3,6-15,18,28H,4-5,16-17H2,1H3;1-2,5-15,18H,3-4,16-17H2,(H,27,30);1-2,5-15,18H,3-4,16-17H2,(H,28,30);3-14,17H,1-2,15-16H2,(H,28,30).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide?
4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide has a molecular weight of 1881.29 g/mol, XLogP of 19.59, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide is sourced from PubChem (CID 157427104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).