4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile

C14H12N2O3S2 — CID 75507552

IUPAC4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile
SMILESN#Cc1ccc(OC2CN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C14H12N2O3S2/c15-8-11-3-5-12(6-4-11)19-13-9-16(10-13)21(17,18)14-2-1-7-20-14/h1-7,13H,9-10H2
InChIKeyLESBNHXBNYYPEM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.07
Rot. Bonds4

About 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile

4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile (PubChem CID 75507552) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile
PubChem CID75507552
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC Name4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile
SMILESN#Cc1ccc(OC2CN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C14H12N2O3S2/c15-8-11-3-5-12(6-4-11)19-13-9-16(10-13)21(17,18)14-2-1-7-20-14/h1-7,13H,9-10H2
InChIKeyLESBNHXBNYYPEM-UHFFFAOYSA-N
XLogP2.07
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
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CID 90627782
3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
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(4-cyanophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425432
4-thiophen-3-yloxy-1-thiophen-2-ylsulfonylpiperidine
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1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
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CID 128941068
N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745828
3-[(4-methylphenoxy)methyl]-1-thiophen-2-ylsulfonylpiperidine
CID 110638586
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1-thiophen-2-ylsulfonylpiperazine
CID 3865892

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile?
The IUPAC name of 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile (CID 75507552) is 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile.
What is the SMILES notation for 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile?
The canonical SMILES for 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile is N#Cc1ccc(OC2CN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile?
The InChIKey is LESBNHXBNYYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c15-8-11-3-5-12(6-4-11)19-13-9-16(10-13)21(17,18)14-2-1-7-20-14/h1-7,13H,9-10H2.
What are the key properties of 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile?
4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile is sourced from PubChem (CID 75507552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).