N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H9ClFN3O2S — CID 54929680

IUPACN-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-9-3-2-7(12)4-8(9)11/h2-5,15H,1H3,(H,13,14)
InChIKeyBZBWCKVRDOOHKT-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.31
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929680) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929680
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC NameN-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-9-3-2-7(12)4-8(9)11/h2-5,15H,1H3,(H,13,14)
InChIKeyBZBWCKVRDOOHKT-UHFFFAOYSA-N
XLogP2.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929680) is N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BZBWCKVRDOOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-9-3-2-7(12)4-8(9)11/h2-5,15H,1H3,(H,13,14).
What are the key properties of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 289.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).