N-benzyl-N-nitroso-1-phenylmethanesulfonamide

C14H14N2O3S — CID 19789210

IUPACN-benzyl-N-nitroso-1-phenylmethanesulfonamide
SMILESO=NN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H14N2O3S/c17-15-16(11-13-7-3-1-4-8-13)20(18,19)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyPNNNDAKXWHBMNI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.70
Rot. Bonds6

About N-benzyl-N-nitroso-1-phenylmethanesulfonamide

N-benzyl-N-nitroso-1-phenylmethanesulfonamide (PubChem CID 19789210) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-benzyl-N-nitroso-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-nitroso-1-phenylmethanesulfonamide
PubChem CID19789210
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-benzyl-N-nitroso-1-phenylmethanesulfonamide
SMILESO=NN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H14N2O3S/c17-15-16(11-13-7-3-1-4-8-13)20(18,19)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyPNNNDAKXWHBMNI-UHFFFAOYSA-N
XLogP2.70
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-nitroso-1-phenylmethanesulfonamide?
The IUPAC name of N-benzyl-N-nitroso-1-phenylmethanesulfonamide (CID 19789210) is N-benzyl-N-nitroso-1-phenylmethanesulfonamide.
What is the SMILES notation for N-benzyl-N-nitroso-1-phenylmethanesulfonamide?
The canonical SMILES for N-benzyl-N-nitroso-1-phenylmethanesulfonamide is O=NN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-nitroso-1-phenylmethanesulfonamide?
The InChIKey is PNNNDAKXWHBMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-15-16(11-13-7-3-1-4-8-13)20(18,19)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of N-benzyl-N-nitroso-1-phenylmethanesulfonamide?
N-benzyl-N-nitroso-1-phenylmethanesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-nitroso-1-phenylmethanesulfonamide is sourced from PubChem (CID 19789210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).