[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol

C13H18BrNO3S — CID 116636618

IUPAC[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCCCC1CO
InChIInChI=1S/C13H18BrNO3S/c14-11-5-7-13(8-6-11)19(17,18)15-9-3-1-2-4-12(15)10-16/h5-8,12,16H,1-4,9-10H2
InChIKeyPXBSDZMRWJRRTH-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.37
Rot. Bonds3

About [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol

[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol (PubChem CID 116636618) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
PubChem CID116636618
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCCCC1CO
InChIInChI=1S/C13H18BrNO3S/c14-11-5-7-13(8-6-11)19(17,18)15-9-3-1-2-4-12(15)10-16/h5-8,12,16H,1-4,9-10H2
InChIKeyPXBSDZMRWJRRTH-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899
1-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546215
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
[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
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol (CID 116636618) is [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol is O=S(=O)(c1ccc(Br)cc1)N1CCCCCC1CO.
What is the InChIKey of [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol?
The InChIKey is PXBSDZMRWJRRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c14-11-5-7-13(8-6-11)19(17,18)15-9-3-1-2-4-12(15)10-16/h5-8,12,16H,1-4,9-10H2.
What are the key properties of [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol?
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol has a molecular weight of 348.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonylazepan-2-yl]methanol is sourced from PubChem (CID 116636618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).