N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide

C16H15BrFN5O5S2 — CID 175039795

IUPACN-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CCSc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H15BrFN5O5S2/c1-30(25,26)22-16(4-5-16)6-7-29-14-12(19-28-21-14)13-20-27-15(24)23(13)9-2-3-11(18)10(17)8-9/h2-3,8,22H,4-7H2,1H3
InChIKeyWMHAOVCUNDNSAR-UHFFFAOYSA-N
MW520.36 g/mol
LogP2.34
Rot. Bonds8

About N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide

N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide (PubChem CID 175039795) has the molecular formula C16H15BrFN5O5S2 and a molecular weight of 520.36 g/mol. Its IUPAC name is N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide
PubChem CID175039795
Molecular FormulaC16H15BrFN5O5S2
Molecular Weight520.36 g/mol
Exact Mass518.97
IUPAC NameN-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CCSc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H15BrFN5O5S2/c1-30(25,26)22-16(4-5-16)6-7-29-14-12(19-28-21-14)13-20-27-15(24)23(13)9-2-3-11(18)10(17)8-9/h2-3,8,22H,4-7H2,1H3
InChIKeyWMHAOVCUNDNSAR-UHFFFAOYSA-N
XLogP2.34
TPSA133.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide with MolForge

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Related Compounds

3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]-N-methylpropane-1-sulfonamide
CID 162069473
N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propyl]methanesulfonamide
CID 59148391
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
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
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
3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;ethane
CID 145385747
tert-butyl N-[3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]azetidin-1-yl]sulfonylcarbamate
CID 175201525
N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethoxy]-N-methylsulfonylmethanesulfonamide
CID 175835295
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
3-[4-(2-aminoethoxy)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;methanamine
CID 142341882
4-(3-bromo-4-fluorophenyl)-3-[4-[(2-methylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 158168305
tert-butyl 4-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]piperidine-1-carboxylate
CID 175210311

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide?
The IUPAC name of N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide (CID 175039795) is N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide?
The canonical SMILES for N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide is CS(=O)(=O)NC1(CCSc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide?
The InChIKey is WMHAOVCUNDNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O5S2/c1-30(25,26)22-16(4-5-16)6-7-29-14-12(19-28-21-14)13-20-27-15(24)23(13)9-2-3-11(18)10(17)8-9/h2-3,8,22H,4-7H2,1H3.
What are the key properties of N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide?
N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide has a molecular weight of 520.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]cyclopropyl]methanesulfonamide is sourced from PubChem (CID 175039795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).