1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride

C11H16ClFN2O2S — CID 24761807

IUPAC1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1)N1CCCNCC1
InChIInChI=1S/C11H15FN2O2S.ClH/c12-10-2-4-11(5-3-10)17(15,16)14-8-1-6-13-7-9-14;/h2-5,13H,1,6-9H2;1H
InChIKeyGGDYACIAPZAWJV-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.23
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride

1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride (PubChem CID 24761807) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
PubChem CID24761807
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1)N1CCCNCC1
InChIInChI=1S/C11H15FN2O2S.ClH/c12-10-2-4-11(5-3-10)17(15,16)14-8-1-6-13-7-9-14;/h2-5,13H,1,6-9H2;1H
InChIKeyGGDYACIAPZAWJV-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride (CID 24761807) is 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride is Cl.O=S(=O)(c1ccc(F)cc1)N1CCCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
The InChIKey is GGDYACIAPZAWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S.ClH/c12-10-2-4-11(5-3-10)17(15,16)14-8-1-6-13-7-9-14;/h2-5,13H,1,6-9H2;1H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride is sourced from PubChem (CID 24761807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).