N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide

C94H77Cl8N13O19S4 — CID 160823323

IUPACN-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
SMILESCc1cc(N2COCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1.O=C(Nc1cc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2Cl)ccc1Cl)c1cccc(Cl)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2COCCS2(=O)=O)cc1
InChIInChI=1S/C24H21Cl2N3O5S.C24H19ClN4O4S.C23H18Cl3N3O5S.C23H19Cl2N3O5S/c1-15-11-19(29-14-34-9-10-35(29,32)33)6-7-20(15)24(31)27-18-5-8-21(26)22(13-18)28-23(30)16-3-2-4-17(25)12-16;25-20-10-7-17(13-19(20)23-14-26-21-3-1-2-4-22(21)28-23)27-24(30)16-5-8-18(9-6-16)29-15-33-11-12-34(29,31)32;24-15-3-1-2-14(10-15)22(30)28-21-11-16(4-7-19(21)25)27-23(31)18-6-5-17(12-20(18)26)29-13-34-8-9-35(29,32)33;24-17-3-1-2-16(12-17)23(30)27-21-13-18(6-9-20(21)25)26-22(29)15-4-7-19(8-5-15)28-14-33-10-11-34(28,31)32/h2-8,11-13H,9-10,14H2,1H3,(H,27,31)(H,28,30);1-10,13-14H,11-12,15H2,(H,27,30);1-7,10-12H,8-9,13H2,(H,27,31)(H,28,30);1-9,12-13H,10-11,14H2,(H,26,29)(H,27,30)
InChIKeySFVGVMYMUDOPAO-UHFFFAOYSA-N
MW2104.61 g/mol
LogP19.15
Rot. Bonds19

About N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide

N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide (PubChem CID 160823323) has the molecular formula C94H77Cl8N13O19S4 and a molecular weight of 2104.61 g/mol. Its IUPAC name is N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
PubChem CID160823323
Molecular FormulaC94H77Cl8N13O19S4
Molecular Weight2104.61 g/mol
Exact Mass2099.18
IUPAC NameN-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
SMILESCc1cc(N2COCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1.O=C(Nc1cc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2Cl)ccc1Cl)c1cccc(Cl)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2COCCS2(=O)=O)cc1
InChIInChI=1S/C24H21Cl2N3O5S.C24H19ClN4O4S.C23H18Cl3N3O5S.C23H19Cl2N3O5S/c1-15-11-19(29-14-34-9-10-35(29,32)33)6-7-20(15)24(31)27-18-5-8-21(26)22(13-18)28-23(30)16-3-2-4-17(25)12-16;25-20-10-7-17(13-19(20)23-14-26-21-3-1-2-4-22(21)28-23)27-24(30)16-5-8-18(9-6-16)29-15-33-11-12-34(29,31)32;24-15-3-1-2-14(10-15)22(30)28-21-11-16(4-7-19(21)25)27-23(31)18-6-5-17(12-20(18)26)29-13-34-8-9-35(29,32)33;24-17-3-1-2-16(12-17)23(30)27-21-13-18(6-9-20(21)25)26-22(29)15-4-7-19(8-5-15)28-14-33-10-11-34(28,31)32/h2-8,11-13H,9-10,14H2,1H3,(H,27,31)(H,28,30);1-10,13-14H,11-12,15H2,(H,27,30);1-7,10-12H,8-9,13H2,(H,27,31)(H,28,30);1-9,12-13H,10-11,14H2,(H,26,29)(H,27,30)
InChIKeySFVGVMYMUDOPAO-UHFFFAOYSA-N
XLogP19.15
TPSA415.92 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002104.61
LogP ≤ 519.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide with MolForge

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Related Compounds

N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130329
N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130358
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 90130452
3-chloro-N-[2-chloro-5-[[4-(1,1-dioxothiazetidin-2-yl)benzoyl]amino]phenyl]benzamide
CID 90130427
N-(3-benzamido-4-chlorophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[2-chloro-5-[[4-(1,1-dioxothiazinan-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 159030255
2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 118463112
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 118463107
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90023188
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide
CID 90129985
2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
CID 148620198
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methyl-N-(1-methylindol-6-yl)benzamide
CID 90130247

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The IUPAC name of N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide (CID 160823323) is N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide is Cc1cc(N2COCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1.O=C(Nc1cc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2Cl)ccc1Cl)c1cccc(Cl)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2COCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
The InChIKey is SFVGVMYMUDOPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O5S.C24H19ClN4O4S.C23H18Cl3N3O5S.C23H19Cl2N3O5S/c1-15-11-19(29-14-34-9-10-35(29,32)33)6-7-20(15)24(31)27-18-5-8-21(26)22(13-18)28-23(30)16-3-2-4-17(25)12-16;25-20-10-7-17(13-19(20)23-14-26-21-3-1-2-4-22(21)28-23)27-24(30)16-5-8-18(9-6-16)29-15-33-11-12-34(29,31)32;24-15-3-1-2-14(10-15)22(30)28-21-11-16(4-7-19(21)25)27-23(31)18-6-5-17(12-20(18)26)29-13-34-8-9-35(29,32)33;24-17-3-1-2-16(12-17)23(30)27-21-13-18(6-9-20(21)25)26-22(29)15-4-7-19(8-5-15)28-14-33-10-11-34(28,31)32/h2-8,11-13H,9-10,14H2,1H3,(H,27,31)(H,28,30);1-10,13-14H,11-12,15H2,(H,27,30);1-7,10-12H,8-9,13H2,(H,27,31)(H,28,30);1-9,12-13H,10-11,14H2,(H,26,29)(H,27,30).
What are the key properties of N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide?
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide has a molecular weight of 2104.61 g/mol, XLogP of 19.15, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide is sourced from PubChem (CID 160823323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).