2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride

C14H21ClN4O4S — CID 120867400

IUPAC2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(OC)c(S(=O)(=O)NC)c2)n1.Cl
InChIInChI=1S/C14H20N4O4S.ClH/c1-9(15-2)7-13-17-14(22-18-13)10-5-6-11(21-4)12(8-10)23(19,20)16-3;/h5-6,8-9,15-16H,7H2,1-4H3;1H
InChIKeyCBSNALRXVJQKBD-UHFFFAOYSA-N
MW376.87 g/mol
LogP1.23
Rot. Bonds7

About 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride

2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (PubChem CID 120867400) has the molecular formula C14H21ClN4O4S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
PubChem CID120867400
Molecular FormulaC14H21ClN4O4S
Molecular Weight376.87 g/mol
Exact Mass376.10
IUPAC Name2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(OC)c(S(=O)(=O)NC)c2)n1.Cl
InChIInChI=1S/C14H20N4O4S.ClH/c1-9(15-2)7-13-17-14(22-18-13)10-5-6-11(21-4)12(8-10)23(19,20)16-3;/h5-6,8-9,15-16H,7H2,1-4H3;1H
InChIKeyCBSNALRXVJQKBD-UHFFFAOYSA-N
XLogP1.23
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120869072
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120866549
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120866192
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-ethyl-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylaniline;hydrochloride
CID 120868223
ethyl 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-1,2-oxazole-3-carboxylate
CID 20941019
5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride
CID 120865950

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (CID 120867400) is 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is CNC(C)Cc1noc(-c2ccc(OC)c(S(=O)(=O)NC)c2)n1.Cl.
What is the InChIKey of 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The InChIKey is CBSNALRXVJQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S.ClH/c1-9(15-2)7-13-17-14(22-18-13)10-5-6-11(21-4)12(8-10)23(19,20)16-3;/h5-6,8-9,15-16H,7H2,1-4H3;1H.
What are the key properties of 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride has a molecular weight of 376.87 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120867400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).