[5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol

C22H23BrN2O3S — CID 70947292

IUPAC[5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol
SMILESO=S(=O)(c1cccc2ccccc12)N1CCC(Nc2ccc(Br)cc2CO)CC1
InChIInChI=1S/C22H23BrN2O3S/c23-18-8-9-21(17(14-18)15-26)24-19-10-12-25(13-11-19)29(27,28)22-7-3-5-16-4-1-2-6-20(16)22/h1-9,14,19,24,26H,10-13,15H2
InChIKeyIDPZKGPAXMTSDX-UHFFFAOYSA-N
MW475.41 g/mol
LogP4.36
Rot. Bonds5

About [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol

[5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol (PubChem CID 70947292) has the molecular formula C22H23BrN2O3S and a molecular weight of 475.41 g/mol. Its IUPAC name is [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol
PubChem CID70947292
Molecular FormulaC22H23BrN2O3S
Molecular Weight475.41 g/mol
Exact Mass474.06
IUPAC Name[5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol
SMILESO=S(=O)(c1cccc2ccccc12)N1CCC(Nc2ccc(Br)cc2CO)CC1
InChIInChI=1S/C22H23BrN2O3S/c23-18-8-9-21(17(14-18)15-26)24-19-10-12-25(13-11-19)29(27,28)22-7-3-5-16-4-1-2-6-20(16)22/h1-9,14,19,24,26H,10-13,15H2
InChIKeyIDPZKGPAXMTSDX-UHFFFAOYSA-N
XLogP4.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
CID 71068252
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
4-bromo-3-(carboxymethoxy)-5-[3-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid
CID 68835559
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
1-(naphthalen-1-ylmethyl)-3-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methyl]thiourea
CID 15516070
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
4-bromo-5-[3-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]-3-(2-oxoethenoxy)thiophene-2-carboxylic acid
CID 86600639
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol?
The IUPAC name of [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol (CID 70947292) is [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol is O=S(=O)(c1cccc2ccccc12)N1CCC(Nc2ccc(Br)cc2CO)CC1.
What is the InChIKey of [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol?
The InChIKey is IDPZKGPAXMTSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3S/c23-18-8-9-21(17(14-18)15-26)24-19-10-12-25(13-11-19)29(27,28)22-7-3-5-16-4-1-2-6-20(16)22/h1-9,14,19,24,26H,10-13,15H2.
What are the key properties of [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol?
[5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol has a molecular weight of 475.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 70947292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).