[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate

C17H17BrFN7O7S — CID 175486766

IUPAC[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate
SMILESNC(=O)OS(=O)(=O)NC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C17H17BrFN7O7S/c18-11-7-10(5-6-12(11)19)26-15(24-31-17(26)28)13-14(23-33-22-13)21-8-1-3-9(4-2-8)25-34(29,30)32-16(20)27/h5-9,25H,1-4H2,(H2,20,27)(H,21,23)
InChIKeyZONOTDDXEAUDHF-UHFFFAOYSA-N
MW562.33 g/mol
LogP1.43
Rot. Bonds7

About [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate

[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate (PubChem CID 175486766) has the molecular formula C17H17BrFN7O7S and a molecular weight of 562.33 g/mol. Its IUPAC name is [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate.

Molecular Properties

Compound Name[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate
PubChem CID175486766
Molecular FormulaC17H17BrFN7O7S
Molecular Weight562.33 g/mol
Exact Mass561.01
IUPAC Name[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate
SMILESNC(=O)OS(=O)(=O)NC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C17H17BrFN7O7S/c18-11-7-10(5-6-12(11)19)26-15(24-31-17(26)28)13-14(23-33-22-13)21-8-1-3-9(4-2-8)25-34(29,30)32-16(20)27/h5-9,25H,1-4H2,(H2,20,27)(H,21,23)
InChIKeyZONOTDDXEAUDHF-UHFFFAOYSA-N
XLogP1.43
TPSA197.47 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate 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

[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-(oxomethylidene)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate
CID 176517322
tert-butyl 3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]pyrrolidine-1-carboxylate
CID 155667745
[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl-prop-2-enylsulfamoyl] carbamate
CID 175227813
3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;ethane
CID 145385747
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(2,2,6,6-tetradeuterio-1,1-dioxothian-4-yl)amino]-1,2,5-oxadiazole-3-carboximidamide;4-(3-bromo-4-fluorophenyl)-3-[4-[(2,2,6,6-tetradeuterio-1,1-dioxothian-4-yl)amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 160663930
4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[3-(sulfamoylamino)cyclobutyl]sulfanyl-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
CID 175203752
3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-N-ethylpropane-1-sulfonamide
CID 139381464
4-(3-bromo-4-fluorophenyl)-3-[4-(pyrrolidin-3-ylmethylamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 155237961
4-(3-bromo-4-fluorophenyl)-3-[4-[2-[diamino(methyl)-λ4-sulfanyl]ethylamino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 142330567
2-[3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]propyl]guanidine
CID 146427741
3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-N-[dimethyl(oxo)-λ6-sulfanylidene]propanamide
CID 134454281
butyl N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethylsulfamoyl]carbamate
CID 131744752

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate?
The IUPAC name of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate (CID 175486766) is [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate.
What is the SMILES notation for [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate?
The canonical SMILES for [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate is NC(=O)OS(=O)(=O)NC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate?
The InChIKey is ZONOTDDXEAUDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN7O7S/c18-11-7-10(5-6-12(11)19)26-15(24-31-17(26)28)13-14(23-33-22-13)21-8-1-3-9(4-2-8)25-34(29,30)32-16(20)27/h5-9,25H,1-4H2,(H2,20,27)(H,21,23).
What are the key properties of [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate?
[4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate has a molecular weight of 562.33 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]cyclohexyl]sulfamoyl carbamate is sourced from PubChem (CID 175486766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).