N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide

C14H16F2N4O3S — CID 120863376

IUPACN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide
SMILESNC1(c2noc(CCNS(=O)(=O)c3ccc(F)c(F)c3)n2)CCC1
InChIInChI=1S/C14H16F2N4O3S/c15-10-3-2-9(8-11(10)16)24(21,22)18-7-4-12-19-13(20-23-12)14(17)5-1-6-14/h2-3,8,18H,1,4-7,17H2
InChIKeyCXXZTCNUDMZTRU-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.21
Rot. Bonds6

About N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide

N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide (PubChem CID 120863376) has the molecular formula C14H16F2N4O3S and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide
PubChem CID120863376
Molecular FormulaC14H16F2N4O3S
Molecular Weight358.37 g/mol
Exact Mass358.09
IUPAC NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide
SMILESNC1(c2noc(CCNS(=O)(=O)c3ccc(F)c(F)c3)n2)CCC1
InChIInChI=1S/C14H16F2N4O3S/c15-10-3-2-9(8-11(10)16)24(21,22)18-7-4-12-19-13(20-23-12)14(17)5-1-6-14/h2-3,8,18H,1,4-7,17H2
InChIKeyCXXZTCNUDMZTRU-UHFFFAOYSA-N
XLogP1.21
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]naphthalene-2-sulfonamide;hydrochloride
CID 120852847
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120863717
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 120852961
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-fluorobenzenesulfonamide
CID 120855146
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120858617
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
CID 120858541
1-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859819
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 120861177
1-[5-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863346

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide (CID 120863376) is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide is NC1(c2noc(CCNS(=O)(=O)c3ccc(F)c(F)c3)n2)CCC1.
What is the InChIKey of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is CXXZTCNUDMZTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O3S/c15-10-3-2-9(8-11(10)16)24(21,22)18-7-4-12-19-13(20-23-12)14(17)5-1-6-14/h2-3,8,18H,1,4-7,17H2.
What are the key properties of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide?
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 358.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 120863376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).