N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide

C12H14FN3O3S — CID 75387183

IUPACN-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(CO)c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-16-7-9(6-14-16)20(18,19)15-12(8-17)10-4-2-3-5-11(10)13/h2-7,12,15,17H,8H2,1H3
InChIKeyMXYRLFXLBJRGDS-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.57
Rot. Bonds5

About N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide

N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 75387183) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID75387183
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC NameN-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(CO)c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-16-7-9(6-14-16)20(18,19)15-12(8-17)10-4-2-3-5-11(10)13/h2-7,12,15,17H,8H2,1H3
InChIKeyMXYRLFXLBJRGDS-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 103861135
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
1-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyrazole-4-sulfonamide
CID 55647338
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769940
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide (CID 75387183) is N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC(CO)c2ccccc2F)cn1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is MXYRLFXLBJRGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-16-7-9(6-14-16)20(18,19)15-12(8-17)10-4-2-3-5-11(10)13/h2-7,12,15,17H,8H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 299.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 75387183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).