N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide

C14H19N3O3S — CID 71975852

IUPACN-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCOCC(C)(NS(=O)(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C14H19N3O3S/c1-14(11-20-3,12-7-5-4-6-8-12)16-21(18,19)13-9-15-17(2)10-13/h4-10,16H,11H2,1-3H3
InChIKeyDKHSDWOURJQULD-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.26
Rot. Bonds6

About N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide

N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 71975852) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID71975852
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCOCC(C)(NS(=O)(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C14H19N3O3S/c1-14(11-20-3,12-7-5-4-6-8-12)16-21(18,19)13-9-15-17(2)10-13/h4-10,16H,11H2,1-3H3
InChIKeyDKHSDWOURJQULD-UHFFFAOYSA-N
XLogP1.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810691
1-Methyl-4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]sulfonylpyrazole
CID 71860561
1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
CID 71997142
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
CID 75387058
N-(2-amino-2-phenylethyl)-1-methyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 71757160
1-ethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 6464964
1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide
CID 16674142
N-(2-Amino-2-phenylethyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 43605664
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 75387183
1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 76147688
N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylpyrazole-4-sulfonamide
CID 99873844

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide (CID 71975852) is N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide is COCC(C)(NS(=O)(=O)c1cnn(C)c1)c1ccccc1.
What is the InChIKey of N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is DKHSDWOURJQULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-14(11-20-3,12-7-5-4-6-8-12)16-21(18,19)13-9-15-17(2)10-13/h4-10,16H,11H2,1-3H3.
What are the key properties of N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide?
N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71975852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).