benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide

C75H72N10O23S3 — CID 158455559

IUPACbenzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide
SMILESCCCCCSC1CC(=O)N(CCC(=O)Nc2ccc3c(c2)C(COC(=O)On2nnc4ccccc42)c2ccccc2-3)C1=O.CCNc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(S(=O)(=O)O)ccc1-2.CNC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1ccccc1-2.O=S(=O)=O
InChIInChI=1S/C33H33N5O6S.C21H19N3O6.C21H20N2O8S.O3S/c1-2-3-8-17-45-29-19-31(40)37(32(29)41)16-15-30(39)34-21-13-14-24-22-9-4-5-10-23(22)26(25(24)18-21)20-43-33(42)44-38-28-12-7-6-11-27(28)35-36-38;1-22-20(27)23-12-6-7-15-13-4-2-3-5-14(13)17(16(15)10-12)11-29-21(28)30-24-18(25)8-9-19(24)26;1-2-22-12-3-5-14-15-6-4-13(32(27,28)29)10-17(15)18(16(14)9-12)11-30-21(26)31-23-19(24)7-8-20(23)25;1-4(2)3/h4-7,9-14,18,26,29H,2-3,8,15-17,19-20H2,1H3,(H,34,39);2-7,10,17H,8-9,11H2,1H3,(H2,22,23,27);3-6,9-10,18,22H,2,7-8,11H2,1H3,(H,27,28,29);
InChIKeyHENHSBFKHQLUJR-UHFFFAOYSA-N
MW1577.65 g/mol
LogP9.65
Rot. Bonds22

About benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide

benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide (PubChem CID 158455559) has the molecular formula C75H72N10O23S3 and a molecular weight of 1577.65 g/mol. Its IUPAC name is benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide.

Molecular Properties

Compound Namebenzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide
PubChem CID158455559
Molecular FormulaC75H72N10O23S3
Molecular Weight1577.65 g/mol
Exact Mass1576.39
IUPAC Namebenzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide
SMILESCCCCCSC1CC(=O)N(CCC(=O)Nc2ccc3c(c2)C(COC(=O)On2nnc4ccccc42)c2ccccc2-3)C1=O.CCNc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(S(=O)(=O)O)ccc1-2.CNC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1ccccc1-2.O=S(=O)=O
InChIInChI=1S/C33H33N5O6S.C21H19N3O6.C21H20N2O8S.O3S/c1-2-3-8-17-45-29-19-31(40)37(32(29)41)16-15-30(39)34-21-13-14-24-22-9-4-5-10-23(22)26(25(24)18-21)20-43-33(42)44-38-28-12-7-6-11-27(28)35-36-38;1-22-20(27)23-12-6-7-15-13-4-2-3-5-14(13)17(16(15)10-12)11-29-21(28)30-24-18(25)8-9-19(24)26;1-2-22-12-3-5-14-15-6-4-13(32(27,28)29)10-17(15)18(16(14)9-12)11-30-21(26)31-23-19(24)7-8-20(23)25;1-4(2)3/h4-7,9-14,18,26,29H,2-3,8,15-17,19-20H2,1H3,(H,34,39);2-7,10,17H,8-9,11H2,1H3,(H2,22,23,27);3-6,9-10,18,22H,2,7-8,11H2,1H3,(H,27,28,29);
InChIKeyHENHSBFKHQLUJR-UHFFFAOYSA-N
XLogP9.65
TPSA437.28 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001577.65
LogP ≤ 59.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide with MolForge

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Related Compounds

9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid
CID 58372655
(2,5-dioxopyrrolidin-1-yl) [2-[3-[3-[4-[1-[3-[[9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1,2,3,4-tetrahydroxybutyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]-9H-fluoren-9-yl]methyl carbonate
CID 50898555
11-[10-[1-[3-[[9-(acetyloxymethyl)-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyldecyldisulfanyl]undecanoic acid;sulfur trioxide
CID 160610245
5-[1-[3-[[9-(acetyloxymethyl)-5-sulfo-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpentan-2-ylideneazanium
CID 59324396
[2-[3-[2,5-dioxo-3-(16-oxohexadecylsulfanyl)pyrrolidin-1-yl]propanoylamino]-9H-fluoren-9-yl]methyl formate
CID 162214736
[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl formate
CID 159938128
5-[1-[3-[[9-(acetyloxymethyl)-7-(trioxidanylsulfanyl)-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpentan-2-ylideneazanium
CID 59324403
[2-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118632709
bis((2,5-dioxopyrrolidin-1-yl) [2-[2-(methylamino)-2-oxoethyl]-7-(propanoylamino)-9H-fluoren-9-yl]methyl carbonate);methanesulfonic acid;sulfurochloridic acid
CID 160648119
[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-[6-(ethylamino)-9-hydroxy-7-oxononyl]carbamate
CID 118375032
[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 90731632
[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 91265178

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide?
The IUPAC name of benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide (CID 158455559) is benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide.
What is the SMILES notation for benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide?
The canonical SMILES for benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide is CCCCCSC1CC(=O)N(CCC(=O)Nc2ccc3c(c2)C(COC(=O)On2nnc4ccccc42)c2ccccc2-3)C1=O.CCNc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(S(=O)(=O)O)ccc1-2.CNC(=O)Nc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1ccccc1-2.O=S(=O)=O.
What is the InChIKey of benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide?
The InChIKey is HENHSBFKHQLUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O6S.C21H19N3O6.C21H20N2O8S.O3S/c1-2-3-8-17-45-29-19-31(40)37(32(29)41)16-15-30(39)34-21-13-14-24-22-9-4-5-10-23(22)26(25(24)18-21)20-43-33(42)44-38-28-12-7-6-11-27(28)35-36-38;1-22-20(27)23-12-6-7-15-13-4-2-3-5-14(13)17(16(15)10-12)11-29-21(28)30-24-18(25)8-9-19(24)26;1-2-22-12-3-5-14-15-6-4-13(32(27,28)29)10-17(15)18(16(14)9-12)11-30-21(26)31-23-19(24)7-8-20(23)25;1-4(2)3/h4-7,9-14,18,26,29H,2-3,8,15-17,19-20H2,1H3,(H,34,39);2-7,10,17H,8-9,11H2,1H3,(H2,22,23,27);3-6,9-10,18,22H,2,7-8,11H2,1H3,(H,27,28,29);.
What are the key properties of benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide?
benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide has a molecular weight of 1577.65 g/mol, XLogP of 9.65, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl [2-[3-(2,5-dioxo-3-pentylsulfanylpyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbonate;(2,5-dioxopyrrolidin-1-yl) [2-(methylcarbamoylamino)-9H-fluoren-9-yl]methyl carbonate;9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid;sulfur trioxide is sourced from PubChem (CID 158455559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).