4-(2-chlorophenyl)sulfonylazepane

C12H16ClNO2S — CID 115070332

IUPAC4-(2-chlorophenyl)sulfonylazepane
SMILESO=S(=O)(c1ccccc1Cl)C1CCCNCC1
InChIInChI=1S/C12H16ClNO2S/c13-11-5-1-2-6-12(11)17(15,16)10-4-3-8-14-9-7-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyASDZKQZBQGFYQC-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.26
Rot. Bonds2

About 4-(2-chlorophenyl)sulfonylazepane

4-(2-chlorophenyl)sulfonylazepane (PubChem CID 115070332) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonylazepane.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonylazepane
PubChem CID115070332
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name4-(2-chlorophenyl)sulfonylazepane
SMILESO=S(=O)(c1ccccc1Cl)C1CCCNCC1
InChIInChI=1S/C12H16ClNO2S/c13-11-5-1-2-6-12(11)17(15,16)10-4-3-8-14-9-7-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyASDZKQZBQGFYQC-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90107100
3-(2,4-dichlorophenyl)sulfonylpyrrolidine
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N-(azepan-4-ylmethyl)-2-chloroaniline
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2-chloro-3-piperidin-4-ylsulfonylquinoxaline
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2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonylazepane?
The IUPAC name of 4-(2-chlorophenyl)sulfonylazepane (CID 115070332) is 4-(2-chlorophenyl)sulfonylazepane.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonylazepane?
The canonical SMILES for 4-(2-chlorophenyl)sulfonylazepane is O=S(=O)(c1ccccc1Cl)C1CCCNCC1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonylazepane?
The InChIKey is ASDZKQZBQGFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-11-5-1-2-6-12(11)17(15,16)10-4-3-8-14-9-7-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of 4-(2-chlorophenyl)sulfonylazepane?
4-(2-chlorophenyl)sulfonylazepane has a molecular weight of 273.78 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonylazepane is sourced from PubChem (CID 115070332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).