N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C18H21N3O3S — CID 71806225

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H21N3O3S/c1-12-18(13(2)21(3)20-12)25(23,24)19-11-17(22)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17,19,22H,11H2,1-3H3
InChIKeyVOHPEKLHRZYNRB-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.20
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806225) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806225
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H21N3O3S/c1-12-18(13(2)21(3)20-12)25(23,24)19-11-17(22)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17,19,22H,11H2,1-3H3
InChIKeyVOHPEKLHRZYNRB-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(Hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide
CID 71578726
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806357
N-(isochroman-3-ylmethyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 91626550
(S)-2-[(1-methyl-3,5-dimethyl-4-pyrazolylsulfonylamino)methyl]-1,2,3,4-tetrahydro-2-naphthol
CID 97355235
1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237
N-[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-1-hydroxyethyl]-5-(2-hydroxypropan-2-yl)-1-methylpyrazole-3-sulfonamide
CID 167254358
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 75400473
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 75431318
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 97258068
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 97258069
N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97325972
N-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97325973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806225) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is VOHPEKLHRZYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-18(13(2)21(3)20-12)25(23,24)19-11-17(22)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17,19,22H,11H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).