3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane

C18H22ClNO2S2 — CID 121146791

IUPAC3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane
SMILESCCc1ccc(S(=O)(=O)N2CCCCC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C18H22ClNO2S2/c1-2-17-10-11-18(23-17)24(21,22)20-12-4-3-5-15(13-20)14-6-8-16(19)9-7-14/h6-11,15H,2-5,12-13H2,1H3
InChIKeyGCCRNKIGLVJQFN-UHFFFAOYSA-N
MW383.97 g/mol
LogP4.92
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane

3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane (PubChem CID 121146791) has the molecular formula C18H22ClNO2S2 and a molecular weight of 383.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane
PubChem CID121146791
Molecular FormulaC18H22ClNO2S2
Molecular Weight383.97 g/mol
Exact Mass383.08
IUPAC Name3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane
SMILESCCc1ccc(S(=O)(=O)N2CCCCC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C18H22ClNO2S2/c1-2-17-10-11-18(23-17)24(21,22)20-12-4-3-5-15(13-20)14-6-8-16(19)9-7-14/h6-11,15H,2-5,12-13H2,1H3
InChIKeyGCCRNKIGLVJQFN-UHFFFAOYSA-N
XLogP4.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-bromothiophen-2-yl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147281
3-(4-chlorophenyl)-1-(3,5-difluorophenyl)sulfonylazepane
CID 121146821
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
3-(4-chlorophenyl)-N,N-dimethylazepane-1-sulfonamide
CID 121146773
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
N-(2-aminoethyl)-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119971441
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
3-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)sulfonylazepane
CID 121146863
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
3-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 121146815

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane?
The IUPAC name of 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane (CID 121146791) is 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane?
The canonical SMILES for 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane is CCc1ccc(S(=O)(=O)N2CCCCC(c3ccc(Cl)cc3)C2)s1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane?
The InChIKey is GCCRNKIGLVJQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S2/c1-2-17-10-11-18(23-17)24(21,22)20-12-4-3-5-15(13-20)14-6-8-16(19)9-7-14/h6-11,15H,2-5,12-13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane?
3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane has a molecular weight of 383.97 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(5-ethylthiophen-2-yl)sulfonylazepane is sourced from PubChem (CID 121146791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).