[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol

C15H23NO4S — CID 102703936

IUPAC[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C15H23NO4S/c1-20-14-11-13(12-17)7-8-15(14)21(18,19)16-9-5-3-2-4-6-10-16/h7-8,11,17H,2-6,9-10,12H2,1H3
InChIKeyNWUQTUOPJNJTQS-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.14
Rot. Bonds4

About [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol

[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol (PubChem CID 102703936) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
PubChem CID102703936
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C15H23NO4S/c1-20-14-11-13(12-17)7-8-15(14)21(18,19)16-9-5-3-2-4-6-10-16/h7-8,11,17H,2-6,9-10,12H2,1H3
InChIKeyNWUQTUOPJNJTQS-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(chloromethyl)-2-methoxyphenyl]sulfonylpiperidine
CID 102704166
[3-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]methanol
CID 102704043
1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine
CID 88572074
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
4-[4-(chloromethyl)-2-methoxyphenyl]sulfonyl-1,4-thiazinane 1-oxide
CID 102704222
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
5-(azepan-1-ylsulfonyl)-2,4-dimethoxybenzoic acid
CID 20505968
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 102704312

Frequently Asked Questions

What is the IUPAC name of [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol (CID 102703936) is [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol is COc1cc(CO)ccc1S(=O)(=O)N1CCCCCCC1.
What is the InChIKey of [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol?
The InChIKey is NWUQTUOPJNJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-20-14-11-13(12-17)7-8-15(14)21(18,19)16-9-5-3-2-4-6-10-16/h7-8,11,17H,2-6,9-10,12H2,1H3.
What are the key properties of [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol?
[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol has a molecular weight of 313.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol is sourced from PubChem (CID 102703936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).