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

C10H11N5O5S — CID 106407917

IUPAC4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ncno2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O5S/c11-7-1-2-9(8(5-7)15(16)17)21(18,19)14-4-3-10-12-6-13-20-10/h1-2,5-6,14H,3-4,11H2
InChIKeySRGRDYBNPKFTBH-UHFFFAOYSA-N
MW313.30 g/mol
LogP0.08
Rot. Bonds6

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

4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106407917) has the molecular formula C10H11N5O5S and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106407917
Molecular FormulaC10H11N5O5S
Molecular Weight313.30 g/mol
Exact Mass313.05
IUPAC Name4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ncno2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O5S/c11-7-1-2-9(8(5-7)15(16)17)21(18,19)14-4-3-10-12-6-13-20-10/h1-2,5-6,14H,3-4,11H2
InChIKeySRGRDYBNPKFTBH-UHFFFAOYSA-N
XLogP0.08
TPSA154.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106407950
4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide
CID 62158762
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392278
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392329
2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392270
4-amino-2,6-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392197
4-amino-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148379
4-amino-N-(3-ethoxypropyl)-2-nitrobenzenesulfonamide
CID 62145077
5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393853
4-(aminomethyl)-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411185
4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 106407733

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106407917) is 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ncno2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is SRGRDYBNPKFTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O5S/c11-7-1-2-9(8(5-7)15(16)17)21(18,19)14-4-3-10-12-6-13-20-10/h1-2,5-6,14H,3-4,11H2.
What are the key properties of 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 313.30 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106407917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).