4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide

C20H24N2O4S — CID 27304150

IUPAC4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
SMILESCOc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-17-10-6-15(7-11-17)19-5-3-2-4-14-22(19)27(24,25)18-12-8-16(9-13-18)20(21)23/h6-13,19H,2-5,14H2,1H3,(H2,21,23)/t19-/m1/s1
InChIKeyFRLYVLLDHSSYOW-LJQANCHMSA-N
MW388.49 g/mol
LogP3.10
Rot. Bonds5

About 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide

4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide (PubChem CID 27304150) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
PubChem CID27304150
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
SMILESCOc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-17-10-6-15(7-11-17)19-5-3-2-4-14-22(19)27(24,25)18-12-8-16(9-13-18)20(21)23/h6-13,19H,2-5,14H2,1H3,(H2,21,23)/t19-/m1/s1
InChIKeyFRLYVLLDHSSYOW-LJQANCHMSA-N
XLogP3.10
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
dimethyl 5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 26545109
2-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 53096146
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
(2S)-2-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylazepane
CID 95078922

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide?
The IUPAC name of 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide (CID 27304150) is 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide is COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide?
The InChIKey is FRLYVLLDHSSYOW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-17-10-6-15(7-11-17)19-5-3-2-4-14-22(19)27(24,25)18-12-8-16(9-13-18)20(21)23/h6-13,19H,2-5,14H2,1H3,(H2,21,23)/t19-/m1/s1.
What are the key properties of 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide?
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide is sourced from PubChem (CID 27304150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).