N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

C11H12FN3O2S — CID 47267533

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H12FN3O2S/c1-15(8-9-4-2-3-5-11(9)12)18(16,17)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14)
InChIKeyGBLBXHUALCMLFO-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.37
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267533) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID47267533
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H12FN3O2S/c1-15(8-9-4-2-3-5-11(9)12)18(16,17)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14)
InChIKeyGBLBXHUALCMLFO-UHFFFAOYSA-N
XLogP1.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54934032
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 60917171
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate
CID 99801225
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
CID 54936964

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (CID 47267533) is N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is GBLBXHUALCMLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-15(8-9-4-2-3-5-11(9)12)18(16,17)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).