3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide

C19H24N2O3S — CID 165417446

IUPAC3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cccc(CN3CCCC(CO)C3)c2)c1
InChIInChI=1S/C19H24N2O3S/c20-25(23,24)19-8-2-7-18(11-19)17-6-1-4-15(10-17)12-21-9-3-5-16(13-21)14-22/h1-2,4,6-8,10-11,16,22H,3,5,9,12-14H2,(H2,20,23,24)
InChIKeyBOCRVIZVCWWRCE-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.21
Rot. Bonds5

About 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide

3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide (PubChem CID 165417446) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide
PubChem CID165417446
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cccc(CN3CCCC(CO)C3)c2)c1
InChIInChI=1S/C19H24N2O3S/c20-25(23,24)19-8-2-7-18(11-19)17-6-1-4-15(10-17)12-21-9-3-5-16(13-21)14-22/h1-2,4,6-8,10-11,16,22H,3,5,9,12-14H2,(H2,20,23,24)
InChIKeyBOCRVIZVCWWRCE-UHFFFAOYSA-N
XLogP2.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
2-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171908907
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
2-fluoro-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 107879202
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide (CID 165417446) is 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cccc(CN3CCCC(CO)C3)c2)c1.
What is the InChIKey of 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide?
The InChIKey is BOCRVIZVCWWRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c20-25(23,24)19-8-2-7-18(11-19)17-6-1-4-15(10-17)12-21-9-3-5-16(13-21)14-22/h1-2,4,6-8,10-11,16,22H,3,5,9,12-14H2,(H2,20,23,24).
What are the key properties of 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide?
3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 165417446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).