N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide

C8H8INO2S — CID 167050073

IUPACN-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
SMILESCS(=O)(I)=NC(=O)c1ccccc1
InChIInChI=1S/C8H8INO2S/c1-13(9,12)10-8(11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRZLYHLFZTSYTBV-UHFFFAOYSA-N
MW309.13 g/mol
LogP2.27
Rot. Bonds1

About N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide

N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide (PubChem CID 167050073) has the molecular formula C8H8INO2S and a molecular weight of 309.13 g/mol. Its IUPAC name is N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide.

Molecular Properties

Compound NameN-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
PubChem CID167050073
Molecular FormulaC8H8INO2S
Molecular Weight309.13 g/mol
Exact Mass308.93
IUPAC NameN-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
SMILESCS(=O)(I)=NC(=O)c1ccccc1
InChIInChI=1S/C8H8INO2S/c1-13(9,12)10-8(11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRZLYHLFZTSYTBV-UHFFFAOYSA-N
XLogP2.27
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide
CID 162418409
CID 131851272
CID 131851272
4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide
CID 154707235
2-methylsulfonylimino-2-phenylacetic acid
CID 54113138
lithium 1-phenylethanone
CID 22269591
2-hydroxyimino-2-methylsulfonyl-1-phenylethanone
CID 154330181
N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
CID 12033157
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-3-nitrobenzamide
CID 122208395
CID 173404741
CID 173404741
N-(1-oxo-1-phenylpropan-2-ylidene)benzamide
CID 23255289
benzoyl isothiocyanate;ethane
CID 90887579
N-(methyliminomethylidene)benzamide
CID 131864232

Frequently Asked Questions

What is the IUPAC name of N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide?
The IUPAC name of N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide (CID 167050073) is N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide.
What is the SMILES notation for N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide?
The canonical SMILES for N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide is CS(=O)(I)=NC(=O)c1ccccc1.
What is the InChIKey of N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide?
The InChIKey is RZLYHLFZTSYTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2S/c1-13(9,12)10-8(11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide?
N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide has a molecular weight of 309.13 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide is sourced from PubChem (CID 167050073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).