1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol

C19H23NO4S — CID 25192455

IUPAC1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO4S/c1-24-17-8-10-18(11-9-17)25(22,23)20-14-5-12-19(21,13-15-20)16-6-3-2-4-7-16/h2-4,6-11,21H,5,12-15H2,1H3
InChIKeyCTMRNVLOBOSBEA-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol

1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol (PubChem CID 25192455) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
PubChem CID25192455
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO4S/c1-24-17-8-10-18(11-9-17)25(22,23)20-14-5-12-19(21,13-15-20)16-6-3-2-4-7-16/h2-4,6-11,21H,5,12-15H2,1H3
InChIKeyCTMRNVLOBOSBEA-UHFFFAOYSA-N
XLogP2.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857
1-cyclopropylsulfonyl-4-phenylazepan-4-ol
CID 58282889
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811
1-[7-(4-hydroxy-4-phenylazepan-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 58282894
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-(4-methoxyphenyl)sulfonylazepan-4-ol
CID 155991425
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol
CID 59651084
(3S)-1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088115

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol (CID 25192455) is 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol is COc1ccc(S(=O)(=O)N2CCCC(O)(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol?
The InChIKey is CTMRNVLOBOSBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-24-17-8-10-18(11-9-17)25(22,23)20-14-5-12-19(21,13-15-20)16-6-3-2-4-7-16/h2-4,6-11,21H,5,12-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol?
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol has a molecular weight of 361.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol is sourced from PubChem (CID 25192455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).