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

C96H86Cl5F2N13O16S4 — CID 159030255

IUPACN-(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
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)cc1NC(=O)c1cccc(Cl)c1.O=C(Nc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)ccc1Cl)c1ccccc1.O=C(Nc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)ccc1Cl)c1ccccc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C25H23ClFN3O4S.C24H21Cl2N3O4S.C24H21ClFN3O4S.C23H21ClN4O4S/c1-16-7-8-19(14-23(16)29-24(31)17-5-4-6-18(26)13-17)28-25(32)21-10-9-20(15-22(21)27)30-11-2-3-12-35(30,33)34;2*25-20-11-8-17(14-22(20)28-23(30)16-6-2-1-3-7-16)27-24(31)19-10-9-18(15-21(19)26)29-12-4-5-13-34(29,32)33;24-20-10-7-18(14-21(20)27-23(30)17-4-3-11-25-15-17)26-22(29)16-5-8-19(9-6-16)28-12-1-2-13-33(28,31)32/h4-10,13-15H,2-3,11-12H2,1H3,(H,28,32)(H,29,31);2*1-3,6-11,14-15H,4-5,12-13H2,(H,27,31)(H,28,30);3-11,14-15H,1-2,12-13H2,(H,26,29)(H,27,30)
InChIKeyJUUIZDGVTLXPDP-UHFFFAOYSA-N
MW2021.35 g/mol
LogP19.73
Rot. Bonds20

About 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

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 (PubChem CID 159030255) has the molecular formula C96H86Cl5F2N13O16S4 and a molecular weight of 2021.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159030255
Molecular FormulaC96H86Cl5F2N13O16S4
Molecular Weight2021.35 g/mol
Exact Mass2017.36
IUPAC NameN-(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
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)cc1NC(=O)c1cccc(Cl)c1.O=C(Nc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)ccc1Cl)c1ccccc1.O=C(Nc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)ccc1Cl)c1ccccc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C25H23ClFN3O4S.C24H21Cl2N3O4S.C24H21ClFN3O4S.C23H21ClN4O4S/c1-16-7-8-19(14-23(16)29-24(31)17-5-4-6-18(26)13-17)28-25(32)21-10-9-20(15-22(21)27)30-11-2-3-12-35(30,33)34;2*25-20-11-8-17(14-22(20)28-23(30)16-6-2-1-3-7-16)27-24(31)19-10-9-18(15-21(19)26)29-12-4-5-13-34(29,32)33;24-20-10-7-18(14-21(20)27-23(30)17-4-3-11-25-15-17)26-22(29)16-5-8-19(9-6-16)28-12-1-2-13-33(28,31)32/h4-10,13-15H,2-3,11-12H2,1H3,(H,28,32)(H,29,31);2*1-3,6-11,14-15H,4-5,12-13H2,(H,27,31)(H,28,30);3-11,14-15H,1-2,12-13H2,(H,26,29)(H,27,30)
InChIKeyJUUIZDGVTLXPDP-UHFFFAOYSA-N
XLogP19.73
TPSA395.21 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002021.35
LogP ≤ 519.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-fluoro-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130519
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
3-chloro-N-[2-chloro-5-[[4-(1,1-dioxothiazetidin-2-yl)benzoyl]amino]phenyl]benzamide
CID 90130427
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
CID 148620198
3-chloro-N-[5-[[4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzoyl]amino]-2-methylphenyl]benzamide
CID 118466518
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
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130329
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075
2-chloro-N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685757
N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 144621222

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)cc1NC(=O)c1cccc(Cl)c1.O=C(Nc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)ccc1Cl)c1ccccc1.O=C(Nc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)ccc1Cl)c1ccccc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 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?
The InChIKey is JUUIZDGVTLXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O4S.C24H21Cl2N3O4S.C24H21ClFN3O4S.C23H21ClN4O4S/c1-16-7-8-19(14-23(16)29-24(31)17-5-4-6-18(26)13-17)28-25(32)21-10-9-20(15-22(21)27)30-11-2-3-12-35(30,33)34;2*25-20-11-8-17(14-22(20)28-23(30)16-6-2-1-3-7-16)27-24(31)19-10-9-18(15-21(19)26)29-12-4-5-13-34(29,32)33;24-20-10-7-18(14-21(20)27-23(30)17-4-3-11-25-15-17)26-22(29)16-5-8-19(9-6-16)28-12-1-2-13-33(28,31)32/h4-10,13-15H,2-3,11-12H2,1H3,(H,28,32)(H,29,31);2*1-3,6-11,14-15H,4-5,12-13H2,(H,27,31)(H,28,30);3-11,14-15H,1-2,12-13H2,(H,26,29)(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 2021.35 g/mol, XLogP of 19.73, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159030255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).