N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide

C12H16N4O3S — CID 61014343

IUPACN,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1noc(CNc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H16N4O3S/c1-9-14-12(19-15-9)8-13-10-6-4-5-7-11(10)20(17,18)16(2)3/h4-7,13H,8H2,1-3H3
InChIKeyRNPPAZJTPGKNNJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.24
Rot. Bonds5

About N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide

N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide (PubChem CID 61014343) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
PubChem CID61014343
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1noc(CNc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H16N4O3S/c1-9-14-12(19-15-9)8-13-10-6-4-5-7-11(10)20(17,18)16(2)3/h4-7,13H,8H2,1-3H3
InChIKeyRNPPAZJTPGKNNJ-UHFFFAOYSA-N
XLogP1.24
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine
CID 47085842
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 61044463
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylsulfonylaniline
CID 43074571
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174
N,N-diethyl-4-methoxy-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 31984054
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6-methylsulfanylbenzonitrile
CID 113385548
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79530172
ethyl 2-amino-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 115545666

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide (CID 61014343) is N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide is Cc1noc(CNc2ccccc2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
The InChIKey is RNPPAZJTPGKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-9-14-12(19-15-9)8-13-10-6-4-5-7-11(10)20(17,18)16(2)3/h4-7,13H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 61014343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).