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

C11H15N5O3S — CID 106393853

IUPAC5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCCc1ncno1
InChIInChI=1S/C11H15N5O3S/c1-13-20(17,18)10-6-8(12)2-3-9(10)14-5-4-11-15-7-16-19-11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyMQPXNFIYFAFSOD-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.21
Rot. Bonds6

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

5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 106393853) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID106393853
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCCc1ncno1
InChIInChI=1S/C11H15N5O3S/c1-13-20(17,18)10-6-8(12)2-3-9(10)14-5-4-11-15-7-16-19-11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyMQPXNFIYFAFSOD-UHFFFAOYSA-N
XLogP0.21
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393801
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 114183117
5-amino-N-methyl-2-[3-(1H-1,2,4-triazol-5-yl)propylamino]benzenesulfonamide
CID 103287111
4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815
5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106036210
5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369551
4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106407917
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392329
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 106393639
3-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]isoquinoline-5,8-diamine
CID 106393818

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide (CID 106393853) is 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCCc1ncno1.
What is the InChIKey of 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is MQPXNFIYFAFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-13-20(17,18)10-6-8(12)2-3-9(10)14-5-4-11-15-7-16-19-11/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide?
5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106393853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).