N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide

C12H10N4O5S — CID 17368436

IUPACN'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1
InChIInChI=1S/C12H10N4O5S/c17-12(11-3-1-2-8-13-11)14-15-22(20,21)10-6-4-9(5-7-10)16(18)19/h1-8,15H,(H,14,17)
InChIKeyKYBUDDZYQGRBRN-UHFFFAOYSA-N
MW322.30 g/mol
LogP0.61
Rot. Bonds5

About N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide

N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide (PubChem CID 17368436) has the molecular formula C12H10N4O5S and a molecular weight of 322.30 g/mol. Its IUPAC name is N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
PubChem CID17368436
Molecular FormulaC12H10N4O5S
Molecular Weight322.30 g/mol
Exact Mass322.04
IUPAC NameN'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1
InChIInChI=1S/C12H10N4O5S/c17-12(11-3-1-2-8-13-11)14-15-22(20,21)10-6-4-9(5-7-10)16(18)19/h1-8,15H,(H,14,17)
InChIKeyKYBUDDZYQGRBRN-UHFFFAOYSA-N
XLogP0.61
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide
CID 167827408
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide
CID 25185414
3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 19167027
2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4730103
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
CID 16615764
N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide
CID 102340847

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide?
The IUPAC name of N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide (CID 17368436) is N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1.
What is the InChIKey of N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide?
The InChIKey is KYBUDDZYQGRBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5S/c17-12(11-3-1-2-8-13-11)14-15-22(20,21)10-6-4-9(5-7-10)16(18)19/h1-8,15H,(H,14,17).
What are the key properties of N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide?
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide has a molecular weight of 322.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide is sourced from PubChem (CID 17368436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).