phenylmethanesulfonamide;sulfuryl dichloride

C7H9Cl2NO4S2 — CID 174345826

IUPACphenylmethanesulfonamide;sulfuryl dichloride
SMILESNS(=O)(=O)Cc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H9NO2S.Cl2O2S/c8-11(9,10)6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6H2,(H2,8,9,10);
InChIKeyGBYJNOQZDHDYOB-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.18
Rot. Bonds2

About phenylmethanesulfonamide;sulfuryl dichloride

phenylmethanesulfonamide;sulfuryl dichloride (PubChem CID 174345826) has the molecular formula C7H9Cl2NO4S2 and a molecular weight of 306.19 g/mol. Its IUPAC name is phenylmethanesulfonamide;sulfuryl dichloride.

Molecular Properties

Compound Namephenylmethanesulfonamide;sulfuryl dichloride
PubChem CID174345826
Molecular FormulaC7H9Cl2NO4S2
Molecular Weight306.19 g/mol
Exact Mass304.94
IUPAC Namephenylmethanesulfonamide;sulfuryl dichloride
SMILESNS(=O)(=O)Cc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H9NO2S.Cl2O2S/c8-11(9,10)6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6H2,(H2,8,9,10);
InChIKeyGBYJNOQZDHDYOB-UHFFFAOYSA-N
XLogP1.18
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 68896583
CID 68896583
azane;phenylmethanesulfonamide
CID 67842568
cerium(3+);phenylmethanesulfonate
CID 141496553
(4-fluorophenyl)methanesulfonamide
CID 16785078
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
1,3-diphenylpropane-2-sulfonamide
CID 62084735
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
alumane;phenylmethanesulfonic acid
CID 174435213
phenylmethanesulfonic acid;phosphane
CID 173374603
potassium;hydride;2-phenylethanesulfonamide
CID 173120901

Frequently Asked Questions

What is the IUPAC name of phenylmethanesulfonamide;sulfuryl dichloride?
The IUPAC name of phenylmethanesulfonamide;sulfuryl dichloride (CID 174345826) is phenylmethanesulfonamide;sulfuryl dichloride.
What is the SMILES notation for phenylmethanesulfonamide;sulfuryl dichloride?
The canonical SMILES for phenylmethanesulfonamide;sulfuryl dichloride is NS(=O)(=O)Cc1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of phenylmethanesulfonamide;sulfuryl dichloride?
The InChIKey is GBYJNOQZDHDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.Cl2O2S/c8-11(9,10)6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6H2,(H2,8,9,10);.
What are the key properties of phenylmethanesulfonamide;sulfuryl dichloride?
phenylmethanesulfonamide;sulfuryl dichloride has a molecular weight of 306.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanesulfonamide;sulfuryl dichloride is sourced from PubChem (CID 174345826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).