N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide

C20H16N6O5S — CID 22943150

IUPACN-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
SMILESO=C(NNc1ccc(NS(=O)(=O)c2ccccc2)cc1)n1ncc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C20H16N6O5S/c27-20(25-18-7-4-8-19(26(28)29)17(18)13-21-25)23-22-14-9-11-15(12-10-14)24-32(30,31)16-5-2-1-3-6-16/h1-13,22,24H,(H,23,27)
InChIKeyBZBNMGGJDODHOY-UHFFFAOYSA-N
MW452.45 g/mol
LogP3.33
Rot. Bonds6

About N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide

N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide (PubChem CID 22943150) has the molecular formula C20H16N6O5S and a molecular weight of 452.45 g/mol. Its IUPAC name is N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
PubChem CID22943150
Molecular FormulaC20H16N6O5S
Molecular Weight452.45 g/mol
Exact Mass452.09
IUPAC NameN-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
SMILESO=C(NNc1ccc(NS(=O)(=O)c2ccccc2)cc1)n1ncc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C20H16N6O5S/c27-20(25-18-7-4-8-19(26(28)29)17(18)13-21-25)23-22-14-9-11-15(12-10-14)24-32(30,31)16-5-2-1-3-6-16/h1-13,22,24H,(H,23,27)
InChIKeyBZBNMGGJDODHOY-UHFFFAOYSA-N
XLogP3.33
TPSA148.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
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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Related Compounds

4-({[(phenylsulfonyl)amino]carbonyl}amino)-1H-indazole
CID 16413771
4-fluoro-N-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 47030131
4-[3-[[4-[2-(4-Nitroindazole-1-carbonyl)hydrazinyl]phenyl]sulfamoyl]anilino]-4-oxobutanoic acid
CID 13007597
3-[[[(4-chlorophenyl)-phenylmethyl]-methylidene-oxo-lambda6-sulfanyl]amino]-N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
CID 20603749
N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
CID 21131462
1-[4-[2-[4-(Hydroperoxyamino)indazole-1-carbonyl]hydrazinyl]phenyl]-3-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]thiourea
CID 22889740
1-Hexyl-3-[4-[[3-[[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]phenyl]thiourea
CID 22889752
2-(2-butoxyethylsulfanyl)-N-[3-[[4-[2-(5-nitroindazole-1-carbonyl)hydrazinyl]phenyl]sulfamoyl]phenyl]acetamide
CID 22889771
1-(2H-benzotriazol-5-yl)-3-[3-[[3-[[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]phenyl]urea
CID 22889829
4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide
CID 22889882
N-[4-[2-(3,5-dinitroindazole-1-carbonyl)hydrazinyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 22889964
N-[3-[[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[4-[2-(trioxidanylsulfanyl)ethyl]-2H-pyridin-1-yl]acetamide
CID 22889966

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide (CID 22943150) is N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide is O=C(NNc1ccc(NS(=O)(=O)c2ccccc2)cc1)n1ncc2c([N+](=O)[O-])cccc21.
What is the InChIKey of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
The InChIKey is BZBNMGGJDODHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O5S/c27-20(25-18-7-4-8-19(26(28)29)17(18)13-21-25)23-22-14-9-11-15(12-10-14)24-32(30,31)16-5-2-1-3-6-16/h1-13,22,24H,(H,23,27).
What are the key properties of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide has a molecular weight of 452.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 22943150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).