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

C10H9N3O4S2 — CID 2836765

IUPAC4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4S2/c1-7-2-3-8(6-9(7)13(14)15)19(16,17)12-10-11-4-5-18-10/h2-6H,1H3,(H,11,12)
InChIKeyRIBQHFLANJJMSC-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.16
Rot. Bonds4

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

4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 2836765) has the molecular formula C10H9N3O4S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID2836765
Molecular FormulaC10H9N3O4S2
Molecular Weight299.33 g/mol
Exact Mass299.00
IUPAC Name4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4S2/c1-7-2-3-8(6-9(7)13(14)15)19(16,17)12-10-11-4-5-18-10/h2-6H,1H3,(H,11,12)
InChIKeyRIBQHFLANJJMSC-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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Related Compounds

Nitrosulfathiazole
CID 10127
Thiourea, N-(2-(2-nitrophenyl)ethyl)-N'-2-thiazolyl-
CID 3001169
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 2105710
2-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 1724694
4-methyl-N-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 162648850
4-Methyl-2-nitro-N-(4-(N-(thiazol-2-yl)sulfamoyl)phenyl)benzenesulfonamide
CID 2216490
3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 2952072
N-(5-methylthiazol-2-yl)-4-nitrobenzenesulfonamide
CID 46225768
4-[(4-nitrophenyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 5236584
3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 2862458
2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 842032
4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 2055006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 2836765) is 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is RIBQHFLANJJMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S2/c1-7-2-3-8(6-9(7)13(14)15)19(16,17)12-10-11-4-5-18-10/h2-6H,1H3,(H,11,12).
What are the key properties of 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide 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 4-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 2836765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).