1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene

C15H18N2O5S3 — CID 166326237

IUPAC1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1CNS(=O)(=O)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C15H18N2O5S3/c1-23(18,14-9-4-3-5-10-14)17-25(21,22)16-12-13-8-6-7-11-15(13)24(2,19)20/h3-11,16H,12H2,1-2H3
InChIKeyXBLUZZXLJXZUAY-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.58
Rot. Bonds6

About 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene

1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene (PubChem CID 166326237) has the molecular formula C15H18N2O5S3 and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene.

Molecular Properties

Compound Name1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene
PubChem CID166326237
Molecular FormulaC15H18N2O5S3
Molecular Weight402.52 g/mol
Exact Mass402.04
IUPAC Name1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1CNS(=O)(=O)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C15H18N2O5S3/c1-23(18,14-9-4-3-5-10-14)17-25(21,22)16-12-13-8-6-7-11-15(13)24(2,19)20/h3-11,16H,12H2,1-2H3
InChIKeyXBLUZZXLJXZUAY-UHFFFAOYSA-N
XLogP1.58
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene?
The IUPAC name of 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene (CID 166326237) is 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene.
What is the SMILES notation for 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene?
The canonical SMILES for 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene is CS(=O)(=O)c1ccccc1CNS(=O)(=O)N=S(C)(=O)c1ccccc1.
What is the InChIKey of 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene?
The InChIKey is XBLUZZXLJXZUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S3/c1-23(18,14-9-4-3-5-10-14)17-25(21,22)16-12-13-8-6-7-11-15(13)24(2,19)20/h3-11,16H,12H2,1-2H3.
What are the key properties of 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene?
1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene has a molecular weight of 402.52 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]sulfonylamino]methyl]-2-methylsulfonylbenzene is sourced from PubChem (CID 166326237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).