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

C10H10Cl2N4O3S — CID 106392278

IUPAC3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)NCCc2ncno2)c1Cl
InChIInChI=1S/C10H10Cl2N4O3S/c11-6-1-2-7(9(12)10(6)13)20(17,18)16-4-3-8-14-5-15-19-8/h1-2,5,16H,3-4,13H2
InChIKeyCHMMTXFQFMVUBR-UHFFFAOYSA-N
MW337.19 g/mol
LogP1.48
Rot. Bonds5

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

3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106392278) has the molecular formula C10H10Cl2N4O3S and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106392278
Molecular FormulaC10H10Cl2N4O3S
Molecular Weight337.19 g/mol
Exact Mass335.99
IUPAC Name3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)NCCc2ncno2)c1Cl
InChIInChI=1S/C10H10Cl2N4O3S/c11-6-1-2-7(9(12)10(6)13)20(17,18)16-4-3-8-14-5-15-19-8/h1-2,5,16H,3-4,13H2
InChIKeyCHMMTXFQFMVUBR-UHFFFAOYSA-N
XLogP1.48
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392197
4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392270
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
4-(aminomethyl)-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411185
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106396401
5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744466
6-amino-2,3-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392251
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815
2-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106401561
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106392278) is 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is Nc1c(Cl)ccc(S(=O)(=O)NCCc2ncno2)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is CHMMTXFQFMVUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O3S/c11-6-1-2-7(9(12)10(6)13)20(17,18)16-4-3-8-14-5-15-19-8/h1-2,5,16H,3-4,13H2.
What are the key properties of 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 337.19 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106392278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).