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

C10H12N4O3S — CID 106402805

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide
SMILESCc1nc(CNc2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C10H12N4O3S/c1-7-13-10(14-17-7)6-12-8-2-4-9(5-3-8)18(11,15)16/h2-5,12H,6H2,1H3,(H2,11,15,16)
InChIKeyMWEWLWWGAZEPQA-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.64
Rot. Bonds4

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

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide (PubChem CID 106402805) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide
PubChem CID106402805
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide
SMILESCc1nc(CNc2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C10H12N4O3S/c1-7-13-10(14-17-7)6-12-8-2-4-9(5-3-8)18(11,15)16/h2-5,12H,6H2,1H3,(H2,11,15,16)
InChIKeyMWEWLWWGAZEPQA-UHFFFAOYSA-N
XLogP0.64
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetonitrile
CID 107911565
1-[2-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]ethanone
CID 106393014
N,N-dimethyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-sulfonamide
CID 103703160
3-iodo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-nitroaniline
CID 103703220
3-iodo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746525
4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 62846658
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-nitrobenzoic acid
CID 106400542
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide (CID 106402805) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide is Cc1nc(CNc2ccc(S(N)(=O)=O)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide?
The InChIKey is MWEWLWWGAZEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-7-13-10(14-17-7)6-12-8-2-4-9(5-3-8)18(11,15)16/h2-5,12H,6H2,1H3,(H2,11,15,16).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide has a molecular weight of 268.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106402805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).