N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide

C11H12FN3O2S — CID 35291251

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C11H12FN3O2S/c1-8-7-11(15(2)13-8)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3
InChIKeyDMGMSQLVPPAYCY-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.67
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide

N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 35291251) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
PubChem CID35291251
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C11H12FN3O2S/c1-8-7-11(15(2)13-8)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3
InChIKeyDMGMSQLVPPAYCY-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 2104462
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2815271
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
4-methyl-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2815267
2-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3416873
3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 2349398
N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 2815264
N-(2,5-dimethylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3687774
2-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 25035984

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide (CID 35291251) is N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is DMGMSQLVPPAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-7-11(15(2)13-8)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 35291251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).