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

C10H11N5O4S2 — CID 62162452

IUPAC4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2nncs2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O4S2/c1-2-11-7-3-4-9(8(5-7)15(16)17)21(18,19)14-10-13-12-6-20-10/h3-6,11H,2H2,1H3,(H,13,14)
InChIKeyIZXKVAOATPKIHC-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.68
Rot. Bonds6

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

4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 62162452) has the molecular formula C10H11N5O4S2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID62162452
Molecular FormulaC10H11N5O4S2
Molecular Weight329.36 g/mol
Exact Mass329.03
IUPAC Name4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2nncs2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O4S2/c1-2-11-7-3-4-9(8(5-7)15(16)17)21(18,19)14-10-13-12-6-20-10/h3-6,11H,2H2,1H3,(H,13,14)
InChIKeyIZXKVAOATPKIHC-UHFFFAOYSA-N
XLogP1.68
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylamino)-4-nitro-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 80747085
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 62150001
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
CID 62143928
4-(ethylamino)-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 62145300
N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600
2-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-4-sulfonamide
CID 62162458
4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 43325334
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
4-(ethylamino)-2-nitrophenol
CID 57133971
2-methyl-1-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-disulfonamide
CID 58302562

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 62162452) is 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2nncs2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is IZXKVAOATPKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S2/c1-2-11-7-3-4-9(8(5-7)15(16)17)21(18,19)14-10-13-12-6-20-10/h3-6,11H,2H2,1H3,(H,13,14).
What are the key properties of 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 329.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 62162452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).