N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide

C21H28N2O4S — CID 97013591

IUPACN-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OC[C@H](O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O4S/c1-28(25,26)22-19-7-9-21(10-8-19)27-16-20(24)15-23-13-11-18(12-14-23)17-5-3-2-4-6-17/h2-10,18,20,22,24H,11-16H2,1H3/t20-/m1/s1
InChIKeyIYPHYBPRBGPAPN-HXUWFJFHSA-N
MW404.53 g/mol
LogP2.68
Rot. Bonds8

About N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide

N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide (PubChem CID 97013591) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide
PubChem CID97013591
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OC[C@H](O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O4S/c1-28(25,26)22-19-7-9-21(10-8-19)27-16-20(24)15-23-13-11-18(12-14-23)17-5-3-2-4-6-17/h2-10,18,20,22,24H,11-16H2,1H3/t20-/m1/s1
InChIKeyIYPHYBPRBGPAPN-HXUWFJFHSA-N
XLogP2.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67025968
4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
CID 172659890
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[4-(methylamino)phenoxy]propan-2-ol
CID 164906480
(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
CID 129279650
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
CID 74227411
1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
CID 86831832
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 46863733

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide (CID 97013591) is N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OC[C@H](O)CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide?
The InChIKey is IYPHYBPRBGPAPN-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-28(25,26)22-19-7-9-21(10-8-19)27-16-20(24)15-23-13-11-18(12-14-23)17-5-3-2-4-6-17/h2-10,18,20,22,24H,11-16H2,1H3/t20-/m1/s1.
What are the key properties of N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide?
N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide has a molecular weight of 404.53 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 97013591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).