3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide

C15H12N4O6S3 — CID 2952072

IUPAC3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C15H12N4O6S3/c20-19(21)12-2-1-3-14(10-12)28(24,25)17-11-4-6-13(7-5-11)27(22,23)18-15-16-8-9-26-15/h1-10,17H,(H,16,18)
InChIKeyGNWKOVFWGMAISR-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.65
Rot. Bonds7

About 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide

3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 2952072) has the molecular formula C15H12N4O6S3 and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID2952072
Molecular FormulaC15H12N4O6S3
Molecular Weight440.48 g/mol
Exact Mass439.99
IUPAC Name3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C15H12N4O6S3/c20-19(21)12-2-1-3-14(10-12)28(24,25)17-11-4-6-13(7-5-11)27(22,23)18-15-16-8-9-26-15/h1-10,17H,(H,16,18)
InChIKeyGNWKOVFWGMAISR-UHFFFAOYSA-N
XLogP2.65
TPSA148.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.65
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 2952072) is 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is GNWKOVFWGMAISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6S3/c20-19(21)12-2-1-3-14(10-12)28(24,25)17-11-4-6-13(7-5-11)27(22,23)18-15-16-8-9-26-15/h1-10,17H,(H,16,18).
What are the key properties of 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 440.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2952072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).