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

C16H16N4O3S — CID 75509828

IUPACN-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H16N4O3S/c1-17-24(21,22)14-9-7-12(8-10-14)11-18-16-19-15(23-20-16)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,20)
InChIKeyVPNWPSGMWXKLRB-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.26
Rot. Bonds6

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

N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide (PubChem CID 75509828) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide
PubChem CID75509828
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H16N4O3S/c1-17-24(21,22)14-9-7-12(8-10-14)11-18-16-19-15(23-20-16)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,20)
InChIKeyVPNWPSGMWXKLRB-UHFFFAOYSA-N
XLogP2.26
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide (CID 75509828) is N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CNc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide?
The InChIKey is VPNWPSGMWXKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-17-24(21,22)14-9-7-12(8-10-14)11-18-16-19-15(23-20-16)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,20).
What are the key properties of N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide?
N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 75509828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).