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

C15H14N6O5S — CID 22889978

IUPACN-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cccc32)cc1
InChIInChI=1S/C15H14N6O5S/c1-27(25,26)19-11-7-5-10(6-8-11)17-18-15(22)20-13-3-2-4-14(21(23)24)12(13)9-16-20/h2-9,17,19H,1H3,(H,18,22)
InChIKeyXELWWCBKHOHYPO-UHFFFAOYSA-N
MW390.38 g/mol
LogP1.90
Rot. Bonds5

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

N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide (PubChem CID 22889978) has the molecular formula C15H14N6O5S and a molecular weight of 390.38 g/mol. Its IUPAC name is N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
PubChem CID22889978
Molecular FormulaC15H14N6O5S
Molecular Weight390.38 g/mol
Exact Mass390.07
IUPAC NameN-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cccc32)cc1
InChIInChI=1S/C15H14N6O5S/c1-27(25,26)19-11-7-5-10(6-8-11)17-18-15(22)20-13-3-2-4-14(21(23)24)12(13)9-16-20/h2-9,17,19H,1H3,(H,18,22)
InChIKeyXELWWCBKHOHYPO-UHFFFAOYSA-N
XLogP1.90
TPSA148.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 51.90
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

Urea, 1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-5-yl)-
CID 4574694
n-Methyl-6-nitro-1h-indazole-1-carboxamide
CID 267954
1-[[2-(5-Nitroindazol-1-yl)acetyl]amino]-3-phenylthiourea
CID 139214176
1-(N-(4-Fluoro-3-nitrophenyl)carbamoyl)-6-nitro-1H-indazole
CID 1809918
(5-nitro(1H-indazolyl))-N-[3-(trifluoromethyl)phenyl]carboxamide
CID 3599078
N-butyl-6-nitroindazole-1-carboxamide
CID 267955
1-(1H-indazol-6-yl)-3-[(Z)-(4-nitrophenyl)methylideneamino]thiourea
CID 5474897
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
4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide
CID 22889882
N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]-3-[(4-octylphenyl)sulfonylamino]benzenesulfonamide
CID 22889967

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide (CID 22889978) is N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cccc32)cc1.
What is the InChIKey of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
The InChIKey is XELWWCBKHOHYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O5S/c1-27(25,26)19-11-7-5-10(6-8-11)17-18-15(22)20-13-3-2-4-14(21(23)24)12(13)9-16-20/h2-9,17,19H,1H3,(H,18,22).
What are the key properties of N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide has a molecular weight of 390.38 g/mol, XLogP of 1.90, 5 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]methanesulfonamide is sourced from PubChem (CID 22889978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).