4-(benzenesulfonyl)-2,3-dihydroazete

C9H9NO2S — CID 155931317

IUPAC4-(benzenesulfonyl)-2,3-dihydroazete
SMILESO=S(=O)(C1=NCC1)c1ccccc1
InChIInChI=1S/C9H9NO2S/c11-13(12,9-6-7-10-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyLLFQQAHRACJNIN-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.26
Rot. Bonds1

About 4-(benzenesulfonyl)-2,3-dihydroazete

4-(benzenesulfonyl)-2,3-dihydroazete (PubChem CID 155931317) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2,3-dihydroazete.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2,3-dihydroazete
PubChem CID155931317
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name4-(benzenesulfonyl)-2,3-dihydroazete
SMILESO=S(=O)(C1=NCC1)c1ccccc1
InChIInChI=1S/C9H9NO2S/c11-13(12,9-6-7-10-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyLLFQQAHRACJNIN-UHFFFAOYSA-N
XLogP1.26
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(E)-2-(benzenesulfonyl)ethenyl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
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N,N-Dimethyl-2-(phenylsulfonyl)ethanamine
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2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine
CID 101176832
phenylsulfonyl-acetone N-methylimine
CID 129779628
2-phenylsulfanyl-3H-azepine
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CID 10561864
4-(benzenesulfonyl)-N-[(4Z)-hepta-4,6-dienyl]butan-1-imine oxide
CID 177445708
phenyl N-methylethanimidothioate
CID 15707425
5-(Benzenesulfonyl)-2,3-dihydropyridine
CID 17801754
1-Diazopentylsulfonylbenzene
CID 21692385
methyl 2-(benzenesulfonyl)-2-cyano-N-methylethanimidothioate
CID 54192961

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2,3-dihydroazete?
The IUPAC name of 4-(benzenesulfonyl)-2,3-dihydroazete (CID 155931317) is 4-(benzenesulfonyl)-2,3-dihydroazete.
What is the SMILES notation for 4-(benzenesulfonyl)-2,3-dihydroazete?
The canonical SMILES for 4-(benzenesulfonyl)-2,3-dihydroazete is O=S(=O)(C1=NCC1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2,3-dihydroazete?
The InChIKey is LLFQQAHRACJNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-13(12,9-6-7-10-9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4-(benzenesulfonyl)-2,3-dihydroazete?
4-(benzenesulfonyl)-2,3-dihydroazete has a molecular weight of 195.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2,3-dihydroazete is sourced from PubChem (CID 155931317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).