N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride

C14H22ClN5O4S — CID 120957963

IUPACN,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
SMILESCc1oc(S(=O)(=O)N(C)C)cc1-c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C14H21N5O4S.ClH/c1-9-10(7-12(22-9)24(20,21)18(2)3)14-16-13(17-23-14)11-8-15-5-6-19(11)4;/h7,11,15H,5-6,8H2,1-4H3;1H
InChIKeyWYWMZZIIGWREBV-UHFFFAOYSA-N
MW391.88 g/mol
LogP0.89
Rot. Bonds4

About N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride

N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride (PubChem CID 120957963) has the molecular formula C14H22ClN5O4S and a molecular weight of 391.88 g/mol. Its IUPAC name is N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
PubChem CID120957963
Molecular FormulaC14H22ClN5O4S
Molecular Weight391.88 g/mol
Exact Mass391.11
IUPAC NameN,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
SMILESCc1oc(S(=O)(=O)N(C)C)cc1-c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C14H21N5O4S.ClH/c1-9-10(7-12(22-9)24(20,21)18(2)3)14-16-13(17-23-14)11-8-15-5-6-19(11)4;/h7,11,15H,5-6,8H2,1-4H3;1H
InChIKeyWYWMZZIIGWREBV-UHFFFAOYSA-N
XLogP0.89
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120960636
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478
4-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N,N,5-trimethylfuran-2-sulfonamide
CID 139003824
5-(4-bromo-2-fluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959492

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
The IUPAC name of N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride (CID 120957963) is N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride.
What is the SMILES notation for N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
The canonical SMILES for N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride is Cc1oc(S(=O)(=O)N(C)C)cc1-c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
The InChIKey is WYWMZZIIGWREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S.ClH/c1-9-10(7-12(22-9)24(20,21)18(2)3)14-16-13(17-23-14)11-8-15-5-6-19(11)4;/h7,11,15H,5-6,8H2,1-4H3;1H.
What are the key properties of N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride has a molecular weight of 391.88 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120957963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).