N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide

C13H10N4O4S — CID 39832274

IUPACN-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C13H10N4O4S/c18-17(19)11-2-4-12(5-3-11)22(20,21)16-10-1-6-13-9(7-10)8-14-15-13/h1-8,16H,(H,14,15)
InChIKeyALZQGHRYVMAIDH-UHFFFAOYSA-N
MW318.31 g/mol
LogP2.27
Rot. Bonds4

About N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide

N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide (PubChem CID 39832274) has the molecular formula C13H10N4O4S and a molecular weight of 318.31 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
PubChem CID39832274
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC NameN-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C13H10N4O4S/c18-17(19)11-2-4-12(5-3-11)22(20,21)16-10-1-6-13-9(7-10)8-14-15-13/h1-8,16H,(H,14,15)
InChIKeyALZQGHRYVMAIDH-UHFFFAOYSA-N
XLogP2.27
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.27
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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Related Compounds

methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
N-(1H-indazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 140564692
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
CID 133425970
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
1H-indazole-5-sulfonamide
CID 22567171
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659
2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 61061401
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
CID 40709731
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide (CID 39832274) is N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide?
The InChIKey is ALZQGHRYVMAIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c18-17(19)11-2-4-12(5-3-11)22(20,21)16-10-1-6-13-9(7-10)8-14-15-13/h1-8,16H,(H,14,15).
What are the key properties of N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide?
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide has a molecular weight of 318.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 39832274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).