About 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide
6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide (PubChem CID 159373110) has the molecular formula C117H134Cl6N20O40S6
and a molecular weight of 2865.58 g/mol. Its IUPAC name is 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide?
The IUPAC name of 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide (CID 159373110) is 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide.
What is the SMILES notation for 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide?
The canonical SMILES for 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide is COCC(COC)Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2O)c(=O)c1=O.COC[C@H](CC(C)C)Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2O)c(=O)c1=O.COC[C@H](Cc1ccccc1)Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2O)c(=O)c1=O.CON(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C)(C)c3ccccc3)c(=O)c2=O)c1O.CON(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C)c3ccncc3)c(=O)c2=O)c1O.CON(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H](C)c3ccn(C)c3)c(=O)c2=O)c1O.
What is the InChIKey of 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide?
The InChIKey is LJZGYFWSQCFQTM-ZBSAQKLRSA-N. The full InChI is InChI=1S/C22H24ClN3O7S.C21H22ClN3O6S.C19H21ClN4O6S.C19H19ClN4O6S.C19H26ClN3O7S.C17H22ClN3O8S/c1-26(33-3)34(30,31)22-15(23)9-10-16(19(22)27)25-18-17(20(28)21(18)29)24-14(12-32-2)11-13-7-5-4-6-8-13;1-21(2,12-8-6-5-7-9-12)24-16-15(18(27)19(16)28)23-14-11-10-13(22)20(17(14)26)32(29,30)25(3)31-4;1-10(11-7-8-23(2)9-11)21-14-15(18(27)17(14)26)22-13-6-5-12(20)19(16(13)25)31(28,29)24(3)30-4;1-10(11-6-8-21-9-7-11)22-14-15(18(27)17(14)26)23-13-5-4-12(20)19(16(13)25)31(28,29)24(2)30-3;1-10(2)8-11(9-29-4)21-14-15(18(26)17(14)25)22-13-7-6-12(20)19(16(13)24)31(27,28)23(3)30-5;1-21(29-4)30(25,26)17-10(18)5-6-11(14(17)22)20-13-12(15(23)16(13)24)19-9(7-27-2)8-28-3/h4-10,14,24-25,27H,11-12H2,1-3H3;5-11,23-24,26H,1-4H3;5-10,21-22,25H,1-4H3;4-10,22-23,25H,1-3H3;6-7,10-11,21-22,24H,8-9H2,1-5H3;5-6,9,19-20,22H,7-8H2,1-4H3/t14-;;10-;;11-;/m0.1.0./s1.
What are the key properties of 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide?
6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide has a molecular weight of 2865.58 g/mol, XLogP of 12.05, 57 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-(1,3-dimethoxypropan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2-phenylpropan-2-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(1-pyridin-4-ylethylamino)cyclobuten-1-yl]amino]-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide;6-chloro-2-hydroxy-N-methoxy-N-methyl-3-[[2-[[(1R)-1-(1-methylpyrrol-3-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzenesulfonamide is sourced from PubChem (CID 159373110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).