[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol

C15H23NO4S — CID 116636629

IUPAC[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2CO)cc1C
InChIInChI=1S/C15H23NO4S/c1-12-10-14(7-8-15(12)20-2)21(18,19)16-9-5-3-4-6-13(16)11-17/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKeyPFZQHNSDUAERCP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.93
Rot. Bonds4

About [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol

[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol (PubChem CID 116636629) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
PubChem CID116636629
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2CO)cc1C
InChIInChI=1S/C15H23NO4S/c1-12-10-14(7-8-15(12)20-2)21(18,19)16-9-5-3-4-6-13(16)11-17/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKeyPFZQHNSDUAERCP-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614
[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027858
5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107215310
2-(benzenesulfonylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90585734
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 7177581
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol?
The IUPAC name of [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol (CID 116636629) is [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol.
What is the SMILES notation for [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol?
The canonical SMILES for [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol is COc1ccc(S(=O)(=O)N2CCCCCC2CO)cc1C.
What is the InChIKey of [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol?
The InChIKey is PFZQHNSDUAERCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-12-10-14(7-8-15(12)20-2)21(18,19)16-9-5-3-4-6-13(16)11-17/h7-8,10,13,17H,3-6,9,11H2,1-2H3.
What are the key properties of [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol?
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol is sourced from PubChem (CID 116636629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).