bis(4-methylbenzenesulfonamide);selane

C14H20N2O4S2Se — CID 173300479

IUPACbis(4-methylbenzenesulfonamide);selane
SMILESCc1ccc(S(N)(=O)=O)cc1.Cc1ccc(S(N)(=O)=O)cc1.[SeH2]
InChIInChI=1S/2C7H9NO2S.H2Se/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H2,8,9,10);1H2
InChIKeySXHHRNVUROHCMT-UHFFFAOYSA-N
MW423.42 g/mol
LogP0.37
Rot. Bonds2

About bis(4-methylbenzenesulfonamide);selane

bis(4-methylbenzenesulfonamide);selane (PubChem CID 173300479) has the molecular formula C14H20N2O4S2Se and a molecular weight of 423.42 g/mol. Its IUPAC name is bis(4-methylbenzenesulfonamide);selane.

Molecular Properties

Compound Namebis(4-methylbenzenesulfonamide);selane
PubChem CID173300479
Molecular FormulaC14H20N2O4S2Se
Molecular Weight423.42 g/mol
Exact Mass424.00
IUPAC Namebis(4-methylbenzenesulfonamide);selane
SMILESCc1ccc(S(N)(=O)=O)cc1.Cc1ccc(S(N)(=O)=O)cc1.[SeH2]
InChIInChI=1S/2C7H9NO2S.H2Se/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H2,8,9,10);1H2
InChIKeySXHHRNVUROHCMT-UHFFFAOYSA-N
XLogP0.37
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methane;4-methylbenzenesulfonamide
CID 66673954
acetonitrile;4-methylbenzenesulfonamide
CID 67578872
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
aminourea;4-methylbenzenesulfonamide
CID 174801132
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
adamantan-1-amine;4-methylbenzenesulfonamide
CID 22906575
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
2-(chloromethyl)-2-methylpropane-1,3-diol;4-methylbenzenesulfonamide
CID 23319887
4-[6-(4-methylphenyl)spiro[3.4]oct-6-en-7-yl]benzenesulfonamide
CID 18934094
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
methanol;4-methylbenzenesulfonamide;4-oxobutanamide
CID 143044654

Frequently Asked Questions

What is the IUPAC name of bis(4-methylbenzenesulfonamide);selane?
The IUPAC name of bis(4-methylbenzenesulfonamide);selane (CID 173300479) is bis(4-methylbenzenesulfonamide);selane.
What is the SMILES notation for bis(4-methylbenzenesulfonamide);selane?
The canonical SMILES for bis(4-methylbenzenesulfonamide);selane is Cc1ccc(S(N)(=O)=O)cc1.Cc1ccc(S(N)(=O)=O)cc1.[SeH2].
What is the InChIKey of bis(4-methylbenzenesulfonamide);selane?
The InChIKey is SXHHRNVUROHCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO2S.H2Se/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H2,8,9,10);1H2.
What are the key properties of bis(4-methylbenzenesulfonamide);selane?
bis(4-methylbenzenesulfonamide);selane has a molecular weight of 423.42 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylbenzenesulfonamide);selane is sourced from PubChem (CID 173300479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).