N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide

C20H21NO3S — CID 71787945

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO3S/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)13-14-21-25(23,24)15-16-7-2-1-3-8-16/h1-12,20-22H,13-15H2
InChIKeyOESVUKGGHVDNEP-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.38
Rot. Bonds7

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide (PubChem CID 71787945) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide
PubChem CID71787945
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO3S/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)13-14-21-25(23,24)15-16-7-2-1-3-8-16/h1-12,20-22H,13-15H2
InChIKeyOESVUKGGHVDNEP-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 45265255
(1R,2R)-3-Amino-2-naphthalen-2-yl-1-phenyl-propan-1-ol; hydrochloride
CID 10107559
(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 69454235
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide
CID 71911243
1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide
CID 71911313
(1S)-3-amino-1-(naphthalen-1-yl)propan-1-ol
CID 89737350
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-2-phenylethanesulfonamide
CID 56764139
1-(2-chlorophenyl)-N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]methanesulfonamide
CID 56764148
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)thiophene-2-sulfonamide
CID 71787944
(R)-1-(1-naphthyl)-2-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-ethanol
CID 95367237
(R)-2-(o-bromophenylsulfonylamino)-1-(1-naphthyl)-1-ethanol
CID 95376465

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide (CID 71787945) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide?
The InChIKey is OESVUKGGHVDNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)13-14-21-25(23,24)15-16-7-2-1-3-8-16/h1-12,20-22H,13-15H2.
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 71787945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).