N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide

C14H19N3O3S — CID 110322872

IUPACN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C14H19N3O3S/c1-3-4-9-21(18,19)15-10-13-16-14(17-20-13)12-7-5-11(2)6-8-12/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyBNFNGDQYLRTRGO-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.26
Rot. Bonds7

About N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide (PubChem CID 110322872) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide
PubChem CID110322872
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C14H19N3O3S/c1-3-4-9-21(18,19)15-10-13-16-14(17-20-13)12-7-5-11(2)6-8-12/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyBNFNGDQYLRTRGO-UHFFFAOYSA-N
XLogP2.26
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890
5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 6460247
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 110322885
2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
CID 110322590
3,4-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322874
5-(butylsulfonylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 78876864
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide (CID 110322872) is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide?
The InChIKey is BNFNGDQYLRTRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-4-9-21(18,19)15-10-13-16-14(17-20-13)12-7-5-11(2)6-8-12/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide?
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 110322872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).