4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole

C17H19BrFN7O5S — CID 156673320

IUPAC4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
SMILESNS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C17H19BrFN7O5S/c18-12-7-11(5-6-13(12)19)26-16(25-30-17(26)27)14-15(24-31-23-14)22-10-3-1-9(2-4-10)8-21-32(20,28)29/h5-7,9-10,21H,1-4,8H2,(H,22,24)(H2,20,28,29)
InChIKeyZPYJFEUVYFWICO-UHFFFAOYSA-N
MW532.35 g/mol
LogP1.54
Rot. Bonds7

About 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole

4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole (PubChem CID 156673320) has the molecular formula C17H19BrFN7O5S and a molecular weight of 532.35 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
PubChem CID156673320
Molecular FormulaC17H19BrFN7O5S
Molecular Weight532.35 g/mol
Exact Mass531.03
IUPAC Name4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
SMILESNS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C17H19BrFN7O5S/c18-12-7-11(5-6-13(12)19)26-16(25-30-17(26)27)14-15(24-31-23-14)22-10-3-1-9(2-4-10)8-21-32(20,28)29/h5-7,9-10,21H,1-4,8H2,(H,22,24)(H2,20,28,29)
InChIKeyZPYJFEUVYFWICO-UHFFFAOYSA-N
XLogP1.54
TPSA171.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole (CID 156673320) is 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole is NS(=O)(=O)NCC1CCC(Nc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZPYJFEUVYFWICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN7O5S/c18-12-7-11(5-6-13(12)19)26-16(25-30-17(26)27)14-15(24-31-23-14)22-10-3-1-9(2-4-10)8-21-32(20,28)29/h5-7,9-10,21H,1-4,8H2,(H,22,24)(H2,20,28,29).
What are the key properties of 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole?
4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 532.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[[4-[(sulfamoylamino)methyl]cyclohexyl]amino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 156673320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).