1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine

C12H16ClFN2O2S — CID 105400292

IUPAC1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c13-10-6-5-9(14)8-11(10)19(17,18)16-7-3-1-2-4-12(16)15/h5-6,8,12H,1-4,7,15H2
InChIKeyMLRDSETWZRGBTJ-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.33
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine

1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine (PubChem CID 105400292) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
PubChem CID105400292
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c13-10-6-5-9(14)8-11(10)19(17,18)16-7-3-1-2-4-12(16)15/h5-6,8,12H,1-4,7,15H2
InChIKeyMLRDSETWZRGBTJ-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 105400762
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 95632899
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 84590364
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-(2-chloro-5-fluorophenyl)sulfonyl-2-isocyanatopyrrolidine
CID 105400275
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine
CID 43101946
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
CID 105400680

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine (CID 105400292) is 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine is NC1CCCCCN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine?
The InChIKey is MLRDSETWZRGBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c13-10-6-5-9(14)8-11(10)19(17,18)16-7-3-1-2-4-12(16)15/h5-6,8,12H,1-4,7,15H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine?
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine has a molecular weight of 306.79 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine is sourced from PubChem (CID 105400292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).