5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine

C9H7N3O4S2 — CID 1535

IUPAC5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)
InChIKeyGKTKCGAOXFHFTD-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.47
Rot. Bonds3

About 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine

5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 1535) has the molecular formula C9H7N3O4S2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID1535
Molecular FormulaC9H7N3O4S2
Molecular Weight285.31 g/mol
Exact Mass284.99
IUPAC Name5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)
InChIKeyGKTKCGAOXFHFTD-UHFFFAOYSA-N
XLogP1.47
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
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

Sulfathiazole
CID 5340
Sodium sulfathiazole
CID 12285822
Thiazosulfone
CID 10124
N-(5-((4-(Hydroxy(oxido)amino)phenyl)thio)-1,3-thiazol-2-yl)acetamide
CID 251939
2-Chloro-N-[5-[(4-nitrophenyl)sulfonyl]-2-thiazolyl]acetamide
CID 2172058
2-methyl-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}pentanamide
CID 2905407
5-[[4-(Hydroxyamino)phenyl]sulfonyl]-1,3-thiazol-2-amine
CID 44564474
2-Acetamido-5-(4-nitrophenylsulfonyl)-thiazole
CID 251940
Nitrosulfathiazole
CID 10127
4-amino-3-[(2-nitrophenyl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 224560
2-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 1724694
2,2-dimethyl-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}butanamide
CID 1978861

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine (CID 1535) is 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine is Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is GKTKCGAOXFHFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11).
What are the key properties of 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine?
5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 285.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).