N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

C16H14FN3O2S — CID 42283318

IUPACN-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H14FN3O2S/c1-12-16(11-20(18-12)15-8-3-2-4-9-15)23(21,22)19-14-7-5-6-13(17)10-14/h2-11,19H,1H3
InChIKeyYXKPXNHKGNZTGF-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds4

About N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283318) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283318
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H14FN3O2S/c1-12-16(11-20(18-12)15-8-3-2-4-9-15)23(21,22)19-14-7-5-6-13(17)10-14/h2-11,19H,1H3
InChIKeyYXKPXNHKGNZTGF-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283318) is N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is YXKPXNHKGNZTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-12-16(11-20(18-12)15-8-3-2-4-9-15)23(21,22)19-14-7-5-6-13(17)10-14/h2-11,19H,1H3.
What are the key properties of N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).