N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H10FN3O2S — CID 54930155

IUPACN-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H10FN3O2S/c1-7-10(6-12-13-7)17(15,16)14-9-4-2-3-8(11)5-9/h2-6,14H,1H3,(H,12,13)
InChIKeyMNCHITAEUKXQTR-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.66
Rot. Bonds3

About N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54930155) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54930155
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC NameN-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H10FN3O2S/c1-7-10(6-12-13-7)17(15,16)14-9-4-2-3-8(11)5-9/h2-6,14H,1H3,(H,12,13)
InChIKeyMNCHITAEUKXQTR-UHFFFAOYSA-N
XLogP1.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54930155) is N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MNCHITAEUKXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-7-10(6-12-13-7)17(15,16)14-9-4-2-3-8(11)5-9/h2-6,14H,1H3,(H,12,13).
What are the key properties of N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 255.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54930155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).