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

C11H11BrFN3O2S — CID 43556037

IUPACN-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-5-8(12)3-4-9(10)13/h3-5,16H,1-2H3,(H,14,15)
InChIKeyLOMUTFCSUHFYMB-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.73
Rot. Bonds3

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

N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43556037) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43556037
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-5-8(12)3-4-9(10)13/h3-5,16H,1-2H3,(H,14,15)
InChIKeyLOMUTFCSUHFYMB-UHFFFAOYSA-N
XLogP2.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43556037) is N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LOMUTFCSUHFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-5-8(12)3-4-9(10)13/h3-5,16H,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 348.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43556037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).