N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C17H23N3O3S — CID 97355235

IUPACN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@]1(O)CCc2ccccc2C1
InChIInChI=1S/C17H23N3O3S/c1-12-16(13(2)20(3)19-12)24(22,23)18-11-17(21)9-8-14-6-4-5-7-15(14)10-17/h4-7,18,21H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyNOLPAMCGNADNAW-KRWDZBQOSA-N
MW349.46 g/mol
LogP1.24
Rot. Bonds4

About N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 97355235) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID97355235
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@]1(O)CCc2ccccc2C1
InChIInChI=1S/C17H23N3O3S/c1-12-16(13(2)20(3)19-12)24(22,23)18-11-17(21)9-8-14-6-4-5-7-15(14)10-17/h4-7,18,21H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyNOLPAMCGNADNAW-KRWDZBQOSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237
1,3,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 97355095
1,3,5-trimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 97355096
N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63183065
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65874129
2-[(1,3-diethylpyrazol-5-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65874130
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65874131
2-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65877178
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806225
N-(2-{[1,1'-biphenyl]-4-yl}-2-hydroxypropyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806228
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806250
N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806355

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 97355235) is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC[C@]1(O)CCc2ccccc2C1.
What is the InChIKey of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is NOLPAMCGNADNAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-16(13(2)20(3)19-12)24(22,23)18-11-17(21)9-8-14-6-4-5-7-15(14)10-17/h4-7,18,21H,8-11H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 97355235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).