N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H12FN3O2S — CID 5295517

IUPACN-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc(F)c2)cnn1C
InChIInChI=1S/C11H12FN3O2S/c1-8-11(7-13-15(8)2)18(16,17)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3
InChIKeyJUPMSMXNXPRIEI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.67
Rot. Bonds3

About N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 5295517) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID5295517
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc(F)c2)cnn1C
InChIInChI=1S/C11H12FN3O2S/c1-8-11(7-13-15(8)2)18(16,17)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3
InChIKeyJUPMSMXNXPRIEI-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

N-(4-chloro-2-fluorophenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6467959
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
[(1,3-Dimethylpyrazol-4-yl)sulfonyl](2-bromophenyl)amine
CID 6467434
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 804168
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
[(1,3-Dimethylpyrazol-4-yl)sulfonyl](3-chlorophenyl)amine
CID 1508670

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 5295517) is N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2cccc(F)c2)cnn1C.
What is the InChIKey of N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is JUPMSMXNXPRIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-11(7-13-15(8)2)18(16,17)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide 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-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 5295517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).