N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide

C20H21NO3S — CID 3363192

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO3S/c1-15(20(22)17-9-4-3-5-10-17)21(2)25(23,24)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20,22H,1-2H3
InChIKeyUGDOTBUQVPPZOK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.58
Rot. Bonds5

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide (PubChem CID 3363192) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
PubChem CID3363192
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO3S/c1-15(20(22)17-9-4-3-5-10-17)21(2)25(23,24)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20,22H,1-2H3
InChIKeyUGDOTBUQVPPZOK-UHFFFAOYSA-N
XLogP3.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)naphthalene-2-sulfonamide
CID 9543486
2-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 4449541
(1-Naphthalen-2-ylsulfonylpiperidin-2-yl)methanol
CID 3714477
1-[2,6-Bis(methylsulfonyl)phenanthren-9-yl]-2-(dibutylamino)ethanol
CID 12340953
1-[2,6-Bis(methylsulfonyl)phenanthren-9-yl]-2-(dibutylamino)ethanol;hydrochloride
CID 12340954
{1-[(4-Methylphenyl)sulfonyl]-2-pyrrolidinyl}(diphenyl)methanol
CID 6547133
N-Benzyl-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzene-1-sulfonamide
CID 11166154
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 135004079
N-(1-hydroxy-1-phenylpropan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 3456923
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)naphthalene-1-sulfonamide
CID 71803865
(R)-1-(1-naphthyl)-2-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-ethanol
CID 95367237
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 6545162

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide (CID 3363192) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide is CC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
The InChIKey is UGDOTBUQVPPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-15(20(22)17-9-4-3-5-10-17)21(2)25(23,24)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20,22H,1-2H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 3363192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).