1-(3-chlorophenyl)sulfonylazepan-2-amine

C12H17ClN2O2S — CID 64560340

IUPAC1-(3-chlorophenyl)sulfonylazepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c13-10-5-4-6-11(9-10)18(16,17)15-8-3-1-2-7-12(15)14/h4-6,9,12H,1-3,7-8,14H2
InChIKeyHFZAUFYEHJTQFO-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.19
Rot. Bonds2

About 1-(3-chlorophenyl)sulfonylazepan-2-amine

1-(3-chlorophenyl)sulfonylazepan-2-amine (PubChem CID 64560340) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonylazepan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonylazepan-2-amine
PubChem CID64560340
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-(3-chlorophenyl)sulfonylazepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c13-10-5-4-6-11(9-10)18(16,17)15-8-3-1-2-7-12(15)14/h4-6,9,12H,1-3,7-8,14H2
InChIKeyHFZAUFYEHJTQFO-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
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2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
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1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
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(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
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CID 43146942

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonylazepan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfonylazepan-2-amine (CID 64560340) is 1-(3-chlorophenyl)sulfonylazepan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonylazepan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonylazepan-2-amine is NC1CCCCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonylazepan-2-amine?
The InChIKey is HFZAUFYEHJTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-10-5-4-6-11(9-10)18(16,17)15-8-3-1-2-7-12(15)14/h4-6,9,12H,1-3,7-8,14H2.
What are the key properties of 1-(3-chlorophenyl)sulfonylazepan-2-amine?
1-(3-chlorophenyl)sulfonylazepan-2-amine has a molecular weight of 288.80 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonylazepan-2-amine is sourced from PubChem (CID 64560340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).