N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H11ClFN3O2S — CID 17409489

IUPACN-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-4-3-8(13)5-9(10)12/h3-5,16H,1-2H3,(H,14,15)
InChIKeyAAEDIOHJOPNYPQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.62
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 17409489) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID17409489
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-4-3-8(13)5-9(10)12/h3-5,16H,1-2H3,(H,14,15)
InChIKeyAAEDIOHJOPNYPQ-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.62
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)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 17409489) is N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is AAEDIOHJOPNYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-4-3-8(13)5-9(10)12/h3-5,16H,1-2H3,(H,14,15).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.62, 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)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 17409489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).