1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide

C14H18FN3O2S — CID 7997074

IUPAC1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C14H18FN3O2S/c1-10-14(21(19,20)17(3)4)11(2)18(16-10)9-12-5-7-13(15)8-6-12/h5-8H,9H2,1-4H3
InChIKeyIRVQZFMTBDZFEO-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.94
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide

1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 7997074) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID7997074
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C14H18FN3O2S/c1-10-14(21(19,20)17(3)4)11(2)18(16-10)9-12-5-7-13(15)8-6-12/h5-8H,9H2,1-4H3
InChIKeyIRVQZFMTBDZFEO-UHFFFAOYSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide (CID 7997074) is 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is IRVQZFMTBDZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-10-14(21(19,20)17(3)4)11(2)18(16-10)9-12-5-7-13(15)8-6-12/h5-8H,9H2,1-4H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 7997074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).