[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide

C6H7N5O4S — CID 57276370

IUPAC[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide
SMILES[N-]=[NH+]NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C6H7N5O4S/c7-5-2-1-4(3-6(5)11(12)13)16(14,15)10-9-8/h1-3,9H,7H2,(H-,8,10)
InChIKeyUUWCNHKHZLIAAE-UHFFFAOYSA-N
MW245.22 g/mol
LogP-1.53
Rot. Bonds4

About [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide

[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide (PubChem CID 57276370) has the molecular formula C6H7N5O4S and a molecular weight of 245.22 g/mol. Its IUPAC name is [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide.

Molecular Properties

Compound Name[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide
PubChem CID57276370
Molecular FormulaC6H7N5O4S
Molecular Weight245.22 g/mol
Exact Mass245.02
IUPAC Name[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide
SMILES[N-]=[NH+]NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C6H7N5O4S/c7-5-2-1-4(3-6(5)11(12)13)16(14,15)10-9-8/h1-3,9H,7H2,(H-,8,10)
InChIKeyUUWCNHKHZLIAAE-UHFFFAOYSA-N
XLogP-1.53
TPSA151.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 43348560
2-[(4-amino-3-nitrophenyl)sulfonylamino]ethylurea
CID 83115528
4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 43244697
4-amino-N-(2-bromophenyl)-3-nitrobenzenesulfonamide
CID 43348562
4-(chloromethylsulfonyl)-2-nitroaniline
CID 13193530
4-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzenesulfonamide
CID 63837488
4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide
CID 43533666
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781
4-amino-3-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540317
4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052
4-amino-N-(2-cyclopentylethyl)-3-nitrobenzenesulfonamide
CID 60920840
4-amino-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531775

Frequently Asked Questions

What is the IUPAC name of [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide?
The IUPAC name of [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide (CID 57276370) is [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide.
What is the SMILES notation for [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide?
The canonical SMILES for [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide is [N-]=[NH+]NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1.
What is the InChIKey of [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide?
The InChIKey is UUWCNHKHZLIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O4S/c7-5-2-1-4(3-6(5)11(12)13)16(14,15)10-9-8/h1-3,9H,7H2,(H-,8,10).
What are the key properties of [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide?
[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide has a molecular weight of 245.22 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide is sourced from PubChem (CID 57276370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).