1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane

C19H23NO3S — CID 852207

IUPAC1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-23-18-10-6-16(7-11-18)17-8-12-19(13-9-17)24(21,22)20-14-4-2-3-5-15-20/h6-13H,2-5,14-15H2,1H3
InChIKeyDFVZOKSUCJQJKM-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.93
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane

1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane (PubChem CID 852207) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane
PubChem CID852207
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-23-18-10-6-16(7-11-18)17-8-12-19(13-9-17)24(21,22)20-14-4-2-3-5-15-20/h6-13H,2-5,14-15H2,1H3
InChIKeyDFVZOKSUCJQJKM-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxyphenylsulfonyl)-4-phenylazepan-4-ol
CID 25192455
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-(6-Methoxy-naphthalene-2-sulfonyl)-pyrrolidine
CID 1085520
1-(2-Methoxy-4-methylphenyl)sulfonylazepane
CID 567073
4-(2-(4-Methoxyphenyl)cyclopent-1-enyl)benzenesulfonamide
CID 10592466
1-(4-Tert-butylphenylsulfonyl)-4-methoxy-4-phenylazepane
CID 25192603
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
1'-((4'-Methoxy-[1,1'-biphenyl]-4-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308435
1-[1-[3-(4-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627971

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane (CID 852207) is 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane is COc1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane?
The InChIKey is DFVZOKSUCJQJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-23-18-10-6-16(7-11-18)17-8-12-19(13-9-17)24(21,22)20-14-4-2-3-5-15-20/h6-13H,2-5,14-15H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane?
1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane has a molecular weight of 345.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]sulfonylazepane is sourced from PubChem (CID 852207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).