N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide

C14H18FN3O3S — CID 97239572

IUPACN-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccccc1F
InChIInChI=1S/C14H18FN3O3S/c1-3-13(14(19)11-6-4-5-7-12(11)15)17-22(20,21)10-8-16-18(2)9-10/h4-9,13-14,17,19H,3H2,1-2H3/t13-,14+/m0/s1
InChIKeyFUXITPBNJKBIOD-UONOGXRCSA-N
MW327.38 g/mol
LogP1.35
Rot. Bonds6

About N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide

N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 97239572) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID97239572
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC NameN-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccccc1F
InChIInChI=1S/C14H18FN3O3S/c1-3-13(14(19)11-6-4-5-7-12(11)15)17-22(20,21)10-8-16-18(2)9-10/h4-9,13-14,17,19H,3H2,1-2H3/t13-,14+/m0/s1
InChIKeyFUXITPBNJKBIOD-UONOGXRCSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-Difluorophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 53621988
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810691
1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
CID 71997142
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 72142038
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
CID 75387058
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806357
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 75387183
N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 75400465
1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 76147688
3-fluoro-N-[(3-hydroxycyclobutyl)(1-methyl-1H-pyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 91783432
N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 97075661
1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide
CID 97239309

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide (CID 97239572) is N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide is CC[C@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccccc1F.
What is the InChIKey of N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is FUXITPBNJKBIOD-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-3-13(14(19)11-6-4-5-7-12(11)15)17-22(20,21)10-8-16-18(2)9-10/h4-9,13-14,17,19H,3H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 327.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 97239572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).