2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate

C102H79F42I10N10O39S7-7 — CID 161234119

IUPAC2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate
SMILESC=CCOC(=O)Nc1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I.CC(C)C(=O)Oc1cc(I)ccc1C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CCC(=O)Oc1cc(I)ccc1C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I.O=C(NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cc(I)c(I)c(O)c1I.O=C(NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cc(I)cc(I)c1.O=C(Nc1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I)OCc1ccccc1
InChIInChI=1S/C19H15F6IN2O6S.C17H19F6IN2O6S.C15H13F6IN2O6S.C15H14F6INO6S.C14H12F6INO6S.C11H6F6I3NO5S.C11H7F6I2NO4S/c20-18(21,22)17(19(23,24)25,10-35(31,32)33)28-15(29)12-6-7-14(13(26)8-12)27-16(30)34-9-11-4-2-1-3-5-11;1-14(2,3)32-13(28)26(4)11-6-5-9(7-10(11)24)12(27)25-15(16(18,19)20,17(21,22)23)8-33(29,30)31;1-2-5-30-12(26)23-10-4-3-8(6-9(10)22)11(25)24-13(14(16,17)18,15(19,20)21)7-31(27,28)29;1-7(2)12(25)29-10-5-8(22)3-4-9(10)11(24)23-13(14(16,17)18,15(19,20)21)6-30(26,27)28;1-2-10(23)28-9-5-7(21)3-4-8(9)11(24)22-12(13(15,16)17,14(18,19)20)6-29(25,26)27;12-10(13,14)9(11(15,16)17,2-27(24,25)26)21-8(23)3-1-4(18)6(20)7(22)5(3)19;12-10(13,14)9(11(15,16)17,4-25(22,23)24)20-8(21)5-1-6(18)3-7(19)2-5/h1-8H,9-10H2,(H,27,30)(H,28,29)(H,31,32,33);5-7H,8H2,1-4H3,(H,25,27)(H,29,30,31);2-4,6H,1,5,7H2,(H,23,26)(H,24,25)(H,27,28,29);3-5,7H,6H2,1-2H3,(H,23,24)(H,26,27,28);3-5H,2,6H2,1H3,(H,22,24)(H,25,26,27);1,22H,2H2,(H,21,23)(H,24,25,26);1-3H,4H2,(H,20,21)(H,22,23,24)/p-7
InChIKeyUZDHXKRFDLGODK-UHFFFAOYSA-G
MW4360.21 g/mol
LogP23.26
Rot. Bonds39

About 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate

2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 161234119) has the molecular formula C102H79F42I10N10O39S7-7 and a molecular weight of 4360.21 g/mol. Its IUPAC name is 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Name2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID161234119
Molecular FormulaC102H79F42I10N10O39S7-7
Molecular Weight4360.21 g/mol
Exact Mass4358.24
IUPAC Name2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate
SMILESC=CCOC(=O)Nc1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I.CC(C)C(=O)Oc1cc(I)ccc1C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CCC(=O)Oc1cc(I)ccc1C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I.O=C(NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cc(I)c(I)c(O)c1I.O=C(NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cc(I)cc(I)c1.O=C(Nc1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I)OCc1ccccc1
InChIInChI=1S/C19H15F6IN2O6S.C17H19F6IN2O6S.C15H13F6IN2O6S.C15H14F6INO6S.C14H12F6INO6S.C11H6F6I3NO5S.C11H7F6I2NO4S/c20-18(21,22)17(19(23,24)25,10-35(31,32)33)28-15(29)12-6-7-14(13(26)8-12)27-16(30)34-9-11-4-2-1-3-5-11;1-14(2,3)32-13(28)26(4)11-6-5-9(7-10(11)24)12(27)25-15(16(18,19)20,17(21,22)23)8-33(29,30)31;1-2-5-30-12(26)23-10-4-3-8(6-9(10)22)11(25)24-13(14(16,17)18,15(19,20)21)7-31(27,28)29;1-7(2)12(25)29-10-5-8(22)3-4-9(10)11(24)23-13(14(16,17)18,15(19,20)21)6-30(26,27)28;1-2-10(23)28-9-5-7(21)3-4-8(9)11(24)22-12(13(15,16)17,14(18,19)20)6-29(25,26)27;12-10(13,14)9(11(15,16)17,2-27(24,25)26)21-8(23)3-1-4(18)6(20)7(22)5(3)19;12-10(13,14)9(11(15,16)17,4-25(22,23)24)20-8(21)5-1-6(18)3-7(19)2-5/h1-8H,9-10H2,(H,27,30)(H,28,29)(H,31,32,33);5-7H,8H2,1-4H3,(H,25,27)(H,29,30,31);2-4,6H,1,5,7H2,(H,23,26)(H,24,25)(H,27,28,29);3-5,7H,6H2,1-2H3,(H,23,24)(H,26,27,28);3-5H,2,6H2,1H3,(H,22,24)(H,25,26,27);1,22H,2H2,(H,21,23)(H,24,25,26);1-3H,4H2,(H,20,21)(H,22,23,24)/p-7
InChIKeyUZDHXKRFDLGODK-UHFFFAOYSA-G
XLogP23.26
TPSA783.13 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds39
Heavy Atoms210
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004360.21
LogP ≤ 523.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate (CID 161234119) is 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate is C=CCOC(=O)Nc1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I.CC(C)C(=O)Oc1cc(I)ccc1C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CCC(=O)Oc1cc(I)ccc1C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I.O=C(NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cc(I)c(I)c(O)c1I.O=C(NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cc(I)cc(I)c1.O=C(Nc1ccc(C(=O)NC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1I)OCc1ccccc1.
What is the InChIKey of 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is UZDHXKRFDLGODK-UHFFFAOYSA-G. The full InChI is InChI=1S/C19H15F6IN2O6S.C17H19F6IN2O6S.C15H13F6IN2O6S.C15H14F6INO6S.C14H12F6INO6S.C11H6F6I3NO5S.C11H7F6I2NO4S/c20-18(21,22)17(19(23,24)25,10-35(31,32)33)28-15(29)12-6-7-14(13(26)8-12)27-16(30)34-9-11-4-2-1-3-5-11;1-14(2,3)32-13(28)26(4)11-6-5-9(7-10(11)24)12(27)25-15(16(18,19)20,17(21,22)23)8-33(29,30)31;1-2-5-30-12(26)23-10-4-3-8(6-9(10)22)11(25)24-13(14(16,17)18,15(19,20)21)7-31(27,28)29;1-7(2)12(25)29-10-5-8(22)3-4-9(10)11(24)23-13(14(16,17)18,15(19,20)21)6-30(26,27)28;1-2-10(23)28-9-5-7(21)3-4-8(9)11(24)22-12(13(15,16)17,14(18,19)20)6-29(25,26)27;12-10(13,14)9(11(15,16)17,2-27(24,25)26)21-8(23)3-1-4(18)6(20)7(22)5(3)19;12-10(13,14)9(11(15,16)17,4-25(22,23)24)20-8(21)5-1-6(18)3-7(19)2-5/h1-8H,9-10H2,(H,27,30)(H,28,29)(H,31,32,33);5-7H,8H2,1-4H3,(H,25,27)(H,29,30,31);2-4,6H,1,5,7H2,(H,23,26)(H,24,25)(H,27,28,29);3-5,7H,6H2,1-2H3,(H,23,24)(H,26,27,28);3-5H,2,6H2,1H3,(H,22,24)(H,25,26,27);1,22H,2H2,(H,21,23)(H,24,25,26);1-3H,4H2,(H,20,21)(H,22,23,24)/p-7.
What are the key properties of 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate?
2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 4360.21 g/mol, XLogP of 23.26, 39 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diiodobenzoyl)amino]-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(3-hydroxy-2,4,5-triiodobenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[4-iodo-2-(2-methylpropanoyloxy)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(4-iodo-2-propanoyloxybenzoyl)amino]-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]amino]-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 161234119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).