N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide

C10H9N3O4S2 — CID 25039581

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H9N3O4S2/c1-7-6-18-10(11-7)12-19(16,17)9-4-2-8(3-5-9)13(14)15/h2-6H,1H3,(H,11,12)
InChIKeyAFYZOKKPCCRBSL-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.16
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide

N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide (PubChem CID 25039581) has the molecular formula C10H9N3O4S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide
PubChem CID25039581
Molecular FormulaC10H9N3O4S2
Molecular Weight299.33 g/mol
Exact Mass299.00
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H9N3O4S2/c1-7-6-18-10(11-7)12-19(16,17)9-4-2-8(3-5-9)13(14)15/h2-6H,1H3,(H,11,12)
InChIKeyAFYZOKKPCCRBSL-UHFFFAOYSA-N
XLogP2.16
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide (CID 25039581) is N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide?
The InChIKey is AFYZOKKPCCRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S2/c1-7-6-18-10(11-7)12-19(16,17)9-4-2-8(3-5-9)13(14)15/h2-6H,1H3,(H,11,12).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 25039581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).