4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide

C14H12N4O4S — CID 142650220

IUPAC4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C14H12N4O4S/c1-9-2-5-11(6-3-9)23(21,22)17-14-12-8-10(18(19)20)4-7-13(12)15-16-14/h2-8H,1H3,(H2,15,16,17)
InChIKeyXCXWLFOPICOHEA-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.58
Rot. Bonds4

About 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide

4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 142650220) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide
PubChem CID142650220
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C14H12N4O4S/c1-9-2-5-11(6-3-9)23(21,22)17-14-12-8-10(18(19)20)4-7-13(12)15-16-14/h2-8H,1H3,(H2,15,16,17)
InChIKeyXCXWLFOPICOHEA-UHFFFAOYSA-N
XLogP2.58
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide (CID 142650220) is 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is XCXWLFOPICOHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-9-2-5-11(6-3-9)23(21,22)17-14-12-8-10(18(19)20)4-7-13(12)15-16-14/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide?
4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 332.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 142650220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).