N-nitrosobenzenesulfonamide

C6H6N2O3S — CID 57254362

IUPACN-nitrosobenzenesulfonamide
SMILESO=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H6N2O3S/c9-7-8-12(10,11)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKeyXMIQHUJILVPFNZ-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.65
Rot. Bonds3

About N-nitrosobenzenesulfonamide

N-nitrosobenzenesulfonamide (PubChem CID 57254362) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is N-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN-nitrosobenzenesulfonamide
PubChem CID57254362
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC NameN-nitrosobenzenesulfonamide
SMILESO=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H6N2O3S/c9-7-8-12(10,11)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKeyXMIQHUJILVPFNZ-UHFFFAOYSA-N
XLogP0.65
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
benzenesulfonohydrazide;hydrate
CID 21414143
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
N-(2-methylpropylideneamino)benzenesulfonamide
CID 4149632
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
CID 88793655
CID 88793655
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
benzenesulfonohydrazide;(E)-carbamoyliminourea
CID 18359618
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N'-aminobenzenesulfonohydrazide
CID 53420328

Frequently Asked Questions

What is the IUPAC name of N-nitrosobenzenesulfonamide?
The IUPAC name of N-nitrosobenzenesulfonamide (CID 57254362) is N-nitrosobenzenesulfonamide.
What is the SMILES notation for N-nitrosobenzenesulfonamide?
The canonical SMILES for N-nitrosobenzenesulfonamide is O=NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-nitrosobenzenesulfonamide?
The InChIKey is XMIQHUJILVPFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c9-7-8-12(10,11)6-4-2-1-3-5-6/h1-5H,(H,8,9).
What are the key properties of N-nitrosobenzenesulfonamide?
N-nitrosobenzenesulfonamide has a molecular weight of 186.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitrosobenzenesulfonamide is sourced from PubChem (CID 57254362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).