1-(benzenesulfonyl)-2-nitrosobenzene

C12H9NO3S — CID 24977548

IUPAC1-(benzenesulfonyl)-2-nitrosobenzene
SMILESO=Nc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H9NO3S/c14-13-11-8-4-5-9-12(11)17(15,16)10-6-2-1-3-7-10/h1-9H
InChIKeyVWYOFNVTXJVHFJ-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.92
Rot. Bonds3

About 1-(benzenesulfonyl)-2-nitrosobenzene

1-(benzenesulfonyl)-2-nitrosobenzene (PubChem CID 24977548) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-nitrosobenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-nitrosobenzene
PubChem CID24977548
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name1-(benzenesulfonyl)-2-nitrosobenzene
SMILESO=Nc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H9NO3S/c14-13-11-8-4-5-9-12(11)17(15,16)10-6-2-1-3-7-10/h1-9H
InChIKeyVWYOFNVTXJVHFJ-UHFFFAOYSA-N
XLogP2.92
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(benzenesulfonyl)benzene
CID 19980733
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-(benzenesulfonyl)benzaldehyde
CID 640916
1-(benzenesulfonyl)-2-methylsulfanylbenzene
CID 139816771
2-(benzenesulfonyl)-6-chloroaniline
CID 22766719
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(benzenesulfonyl)-3-chloro-2-fluorobenzene
CID 118451545
2,3-bis(benzenesulfonyl)pyridine
CID 140663815
1-(benzenesulfonyl)-2-cyclopropylbenzene
CID 12644504
1-azido-2-(2-azidophenyl)sulfonylbenzene
CID 86105222

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-nitrosobenzene?
The IUPAC name of 1-(benzenesulfonyl)-2-nitrosobenzene (CID 24977548) is 1-(benzenesulfonyl)-2-nitrosobenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-nitrosobenzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-nitrosobenzene is O=Nc1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-nitrosobenzene?
The InChIKey is VWYOFNVTXJVHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-13-11-8-4-5-9-12(11)17(15,16)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-2-nitrosobenzene?
1-(benzenesulfonyl)-2-nitrosobenzene has a molecular weight of 247.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-nitrosobenzene is sourced from PubChem (CID 24977548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).