2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane

C19H22ClNO2S — CID 53096111

IUPAC2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c1-15-10-12-16(13-11-15)24(22,23)21-14-6-2-3-9-19(21)17-7-4-5-8-18(17)20/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3
InChIKeyLDSKBBGTXMXFIV-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.95
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane

2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane (PubChem CID 53096111) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
PubChem CID53096111
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c1-15-10-12-16(13-11-15)24(22,23)21-14-6-2-3-9-19(21)17-7-4-5-8-18(17)20/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3
InChIKeyLDSKBBGTXMXFIV-UHFFFAOYSA-N
XLogP4.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 86167152
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102539403
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridin-2-one
CID 102542654

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane (CID 53096111) is 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane is Cc1ccc(S(=O)(=O)N2CCCCCC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane?
The InChIKey is LDSKBBGTXMXFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-15-10-12-16(13-11-15)24(22,23)21-14-6-2-3-9-19(21)17-7-4-5-8-18(17)20/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane?
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane has a molecular weight of 363.91 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane is sourced from PubChem (CID 53096111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).