N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide

C19H20FN3O2S — CID 45495653

IUPACN-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(15(2)23(21-14)18-11-9-17(20)10-12-18)26(24,25)22(3)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyZAVQCBKBQDAYKF-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.45
Rot. Bonds5

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

N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 45495653) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID45495653
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(15(2)23(21-14)18-11-9-17(20)10-12-18)26(24,25)22(3)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyZAVQCBKBQDAYKF-UHFFFAOYSA-N
XLogP3.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide (CID 45495653) is N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is ZAVQCBKBQDAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-14-19(15(2)23(21-14)18-11-9-17(20)10-12-18)26(24,25)22(3)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 45495653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).