N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride

C18H24ClFN4O3S — CID 120860617

IUPACN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1(c2noc(C3(NS(=O)(=O)c4cccc(F)c4)CCCCC3)n2)CCC1
InChIInChI=1S/C18H23FN4O3S.ClH/c19-13-6-4-7-14(12-13)27(24,25)23-18(10-2-1-3-11-18)16-21-15(22-26-16)17(20)8-5-9-17;/h4,6-7,12,23H,1-3,5,8-11,20H2;1H
InChIKeyQKPLRPQNOPJUIY-UHFFFAOYSA-N
MW430.93 g/mol
LogP3.11
Rot. Bonds5

About N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120860617) has the molecular formula C18H24ClFN4O3S and a molecular weight of 430.93 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID120860617
Molecular FormulaC18H24ClFN4O3S
Molecular Weight430.93 g/mol
Exact Mass430.12
IUPAC NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1(c2noc(C3(NS(=O)(=O)c4cccc(F)c4)CCCCC3)n2)CCC1
InChIInChI=1S/C18H23FN4O3S.ClH/c19-13-6-4-7-14(12-13)27(24,25)23-18(10-2-1-3-11-18)16-21-15(22-26-16)17(20)8-5-9-17;/h4,6-7,12,23H,1-3,5,8-11,20H2;1H
InChIKeyQKPLRPQNOPJUIY-UHFFFAOYSA-N
XLogP3.11
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide
CID 71792059
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120858617
N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
1-[5-[2-(3-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856429
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786
1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61123263
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
CID 120861710
1-[5-[1-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850813
1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
CID 120855897
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide
CID 120863376

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride (CID 120860617) is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride is Cl.NC1(c2noc(C3(NS(=O)(=O)c4cccc(F)c4)CCCCC3)n2)CCC1.
What is the InChIKey of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is QKPLRPQNOPJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S.ClH/c19-13-6-4-7-14(12-13)27(24,25)23-18(10-2-1-3-11-18)16-21-15(22-26-16)17(20)8-5-9-17;/h4,6-7,12,23H,1-3,5,8-11,20H2;1H.
What are the key properties of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride?
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 430.93 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120860617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).