1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane

C17H25ClN2O2S — CID 660256

IUPAC1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C17H25ClN2O2S/c18-15-5-7-17(8-6-15)23(21,22)20-13-9-16(10-14-20)19-11-3-1-2-4-12-19/h5-8,16H,1-4,9-14H2
InChIKeyITQYQYUSZHSEHY-UHFFFAOYSA-N
MW356.92 g/mol
LogP3.37
Rot. Bonds3

About 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane

1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane (PubChem CID 660256) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane
PubChem CID660256
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C17H25ClN2O2S/c18-15-5-7-17(8-6-15)23(21,22)20-13-9-16(10-14-20)19-11-3-1-2-4-12-19/h5-8,16H,1-4,9-14H2
InChIKeyITQYQYUSZHSEHY-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
CID 2735724
1-[1-(2,4-Dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627877
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
1-(4-Chlorophenyl)sulfonylazepane
CID 822517
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
N,N-Dibutyl-4-chlorobenzenesulfonamide
CID 31385
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964
1-(4-Chlorophenylsulfonyl)-4-methylpiperidine
CID 310129
Rac-(cis)-1-(4-chlorophenylsulfonyl)-2,6-dimethylpiperidine
CID 822847
3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 10715573
(1S,4S)-2-(4-chlorophenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 25192963
1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308437

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane (CID 660256) is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane is O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane?
The InChIKey is ITQYQYUSZHSEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2S/c18-15-5-7-17(8-6-15)23(21,22)20-13-9-16(10-14-20)19-11-3-1-2-4-12-19/h5-8,16H,1-4,9-14H2.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane?
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane has a molecular weight of 356.92 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]azepane is sourced from PubChem (CID 660256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).