4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide

C11H12N4O5S — CID 62904139

IUPAC4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccon2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O5S/c1-2-12-9-4-3-8(7-10(9)15(16)17)21(18,19)14-11-5-6-20-13-11/h3-7,12H,2H2,1H3,(H,13,14)
InChIKeyUDUNTKUQMICUBR-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.82
Rot. Bonds6

About 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide

4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 62904139) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID62904139
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccon2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O5S/c1-2-12-9-4-3-8(7-10(9)15(16)17)21(18,19)14-11-5-6-20-13-11/h3-7,12H,2H2,1H3,(H,13,14)
InChIKeyUDUNTKUQMICUBR-UHFFFAOYSA-N
XLogP1.82
TPSA127.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902360
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
2-(ethylamino)-N-(1,2-oxazol-3-yl)pyrimidine-5-sulfonamide
CID 62902362
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
CID 62150924
N-ethyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62150216
3-(ethylamino)-4-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 82846900
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
4-(ethylamino)-N-(2-methoxypropyl)-3-nitrobenzenesulfonamide
CID 102700446
4-(ethylamino)-N-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 62149032
5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 80746819
N-ethyl-4-(ethylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 62144793
4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62914714

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 62904139) is 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2ccon2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is UDUNTKUQMICUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-2-12-9-4-3-8(7-10(9)15(16)17)21(18,19)14-11-5-6-20-13-11/h3-7,12H,2H2,1H3,(H,13,14).
What are the key properties of 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62904139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).