4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C15H12N4O4S2 — CID 90730964

IUPAC4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1
InChIInChI=1S/C15H12N4O4S2/c16-25(22,23)13-7-3-11(4-8-13)17-15-18-14(9-24-15)10-1-5-12(6-2-10)19(20)21/h1-9H,(H,17,18)(H2,16,22,23)
InChIKeyHIMYCLQBSPLNHG-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.11
Rot. Bonds5

About 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 90730964) has the molecular formula C15H12N4O4S2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID90730964
Molecular FormulaC15H12N4O4S2
Molecular Weight376.42 g/mol
Exact Mass376.03
IUPAC Name4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1
InChIInChI=1S/C15H12N4O4S2/c16-25(22,23)13-7-3-11(4-8-13)17-15-18-14(9-24-15)10-1-5-12(6-2-10)19(20)21/h1-9H,(H,17,18)(H2,16,22,23)
InChIKeyHIMYCLQBSPLNHG-UHFFFAOYSA-N
XLogP3.11
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.11
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

N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
N-(3-chloro-4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 19132871
4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 164587687
4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 135223031
N-tert-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 8963286
ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzoate;hydrobromide
CID 160990265
2-chloro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]naphthalene-1,4-dione
CID 155528570
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
CID 24830655
2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544584

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 90730964) is 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is HIMYCLQBSPLNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S2/c16-25(22,23)13-7-3-11(4-8-13)17-15-18-14(9-24-15)10-1-5-12(6-2-10)19(20)21/h1-9H,(H,17,18)(H2,16,22,23).
What are the key properties of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 376.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 90730964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).