[4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene

C56H36F6N10O24S8 — CID 159001535

IUPAC[4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene
SMILESCC(=O)Oc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1.[N-]=[N+]=C(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.[N-]=[N+]=C(S(=O)(=O)c1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1F.[N-]=[N+]=C(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N2O8S2.C13H6F4N2O4S2.C13H8F2N2O4S2.C13H8N4O8S2/c1-11(20)26-13-3-7-15(8-4-13)28(22,23)17(19-18)29(24,25)16-9-5-14(6-10-16)27-12(2)21;14-7-1-3-11(9(16)5-7)24(20,21)13(19-18)25(22,23)12-4-2-8(15)6-10(12)17;14-9-1-5-11(6-2-9)22(18,19)13(17-16)23(20,21)12-7-3-10(15)4-8-12;14-15-13(26(22,23)11-5-1-9(2-6-11)16(18)19)27(24,25)12-7-3-10(4-8-12)17(20)21/h3-10H,1-2H3;1-6H;1-8H;1-8H
InChIKeyJRJWEDVJTPHKOZ-UHFFFAOYSA-N
MW1603.47 g/mol
LogP6.58
Rot. Bonds12

About [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene

[4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene (PubChem CID 159001535) has the molecular formula C56H36F6N10O24S8 and a molecular weight of 1603.47 g/mol. Its IUPAC name is [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene.

Molecular Properties

Compound Name[4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene
PubChem CID159001535
Molecular FormulaC56H36F6N10O24S8
Molecular Weight1603.47 g/mol
Exact Mass1601.96
IUPAC Name[4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene
SMILESCC(=O)Oc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1.[N-]=[N+]=C(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.[N-]=[N+]=C(S(=O)(=O)c1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1F.[N-]=[N+]=C(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N2O8S2.C13H6F4N2O4S2.C13H8F2N2O4S2.C13H8N4O8S2/c1-11(20)26-13-3-7-15(8-4-13)28(22,23)17(19-18)29(24,25)16-9-5-14(6-10-16)27-12(2)21;14-7-1-3-11(9(16)5-7)24(20,21)13(19-18)25(22,23)12-4-2-8(15)6-10(12)17;14-9-1-5-11(6-2-9)22(18,19)13(17-16)23(20,21)12-7-3-10(15)4-8-12;14-15-13(26(22,23)11-5-1-9(2-6-11)16(18)19)27(24,25)12-7-3-10(4-8-12)17(20)21/h3-10H,1-2H3;1-6H;1-8H;1-8H
InChIKeyJRJWEDVJTPHKOZ-UHFFFAOYSA-N
XLogP6.58
TPSA557.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.47
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;(4-nitrophenyl) acetate;phosphate
CID 175833825
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
[(2R)-2-[(2,5-difluorophenyl)sulfonylamino]propyl] (4-nitrophenyl) carbonate
CID 141028051
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
[4-[(4-benzoyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] benzoate
CID 22460302
(4-nitrophenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 8764577
3-(4-acetyloxyphenyl)-3-(4-nitrophenyl)prop-2-enoic acid
CID 67709199
(4-nitrophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8764606
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-nitrobenzenesulfonamide
CID 31818110
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 86718069
dimethyl propanedioate;1-fluoro-4-nitrobenzene
CID 174733848

Frequently Asked Questions

What is the IUPAC name of [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene?
The IUPAC name of [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene (CID 159001535) is [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene.
What is the SMILES notation for [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene?
The canonical SMILES for [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene is CC(=O)Oc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1.[N-]=[N+]=C(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.[N-]=[N+]=C(S(=O)(=O)c1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1F.[N-]=[N+]=C(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene?
The InChIKey is JRJWEDVJTPHKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O8S2.C13H6F4N2O4S2.C13H8F2N2O4S2.C13H8N4O8S2/c1-11(20)26-13-3-7-15(8-4-13)28(22,23)17(19-18)29(24,25)16-9-5-14(6-10-16)27-12(2)21;14-7-1-3-11(9(16)5-7)24(20,21)13(19-18)25(22,23)12-4-2-8(15)6-10(12)17;14-9-1-5-11(6-2-9)22(18,19)13(17-16)23(20,21)12-7-3-10(15)4-8-12;14-15-13(26(22,23)11-5-1-9(2-6-11)16(18)19)27(24,25)12-7-3-10(4-8-12)17(20)21/h3-10H,1-2H3;1-6H;1-8H;1-8H.
What are the key properties of [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene?
[4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene has a molecular weight of 1603.47 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-acetyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] acetate;1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene;1-[diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene;1-[diazo-(4-nitrophenyl)sulfonylmethyl]sulfonyl-4-nitrobenzene is sourced from PubChem (CID 159001535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).