N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide

C12H14FN3O2S — CID 43547453

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-8-12(9(2)15-14-8)16-19(17,18)7-10-3-5-11(13)6-4-10/h3-6,16H,7H2,1-2H3,(H,14,15)
InChIKeyXZUJKETZGYEMFJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.11
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 43547453) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID43547453
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-8-12(9(2)15-14-8)16-19(17,18)7-10-3-5-11(13)6-4-10/h3-6,16H,7H2,1-2H3,(H,14,15)
InChIKeyXZUJKETZGYEMFJ-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 1486442
(E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
CID 5389252
1-Benzylsulfonyl-3,5-dimethylpyrazole
CID 658313
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4151083
N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4250803
3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 5047363
N-[(2,4-difluorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 24241677
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43237067
N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402492
1-(3-fluoro-4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 86815886

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide (CID 43547453) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is XZUJKETZGYEMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8-12(9(2)15-14-8)16-19(17,18)7-10-3-5-11(13)6-4-10/h3-6,16H,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 43547453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).