(2-phenylphenyl)sulfonylformonitrile

C13H9NO2S — CID 172758625

IUPAC(2-phenylphenyl)sulfonylformonitrile
SMILESN#CS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c14-10-17(15,16)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H
InChIKeyLJIZUABMGWCMFW-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.61
Rot. Bonds2

About (2-phenylphenyl)sulfonylformonitrile

(2-phenylphenyl)sulfonylformonitrile (PubChem CID 172758625) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is (2-phenylphenyl)sulfonylformonitrile.

Molecular Properties

Compound Name(2-phenylphenyl)sulfonylformonitrile
PubChem CID172758625
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name(2-phenylphenyl)sulfonylformonitrile
SMILESN#CS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c14-10-17(15,16)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H
InChIKeyLJIZUABMGWCMFW-UHFFFAOYSA-N
XLogP2.61
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'sulfonyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

chromium(6+);hexakis(octalene-1-sulfonate)
CID 157485438
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane
CID 162404688
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
methyl-(2-phenylphenyl)sulfonylazanide
CID 59280748
(N'-cyanocarbamimidoyl) 2-phenylbenzenesulfonate
CID 18318629
4-(2-methylsulfonylphenyl)benzonitrile
CID 22323113
azulene-1-sulfonic acid
CID 159727462
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
2-cyano-N-(2-phenylphenyl)benzenesulfonamide
CID 26979564
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
1-phenyl-2-prop-2-enylsulfonylbenzene
CID 68657495

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)sulfonylformonitrile?
The IUPAC name of (2-phenylphenyl)sulfonylformonitrile (CID 172758625) is (2-phenylphenyl)sulfonylformonitrile.
What is the SMILES notation for (2-phenylphenyl)sulfonylformonitrile?
The canonical SMILES for (2-phenylphenyl)sulfonylformonitrile is N#CS(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl)sulfonylformonitrile?
The InChIKey is LJIZUABMGWCMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c14-10-17(15,16)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H.
What are the key properties of (2-phenylphenyl)sulfonylformonitrile?
(2-phenylphenyl)sulfonylformonitrile has a molecular weight of 243.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)sulfonylformonitrile is sourced from PubChem (CID 172758625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).