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

C12H14BrFN4O2S — CID 106067066

IUPACN-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H14BrFN4O2S/c1-7-12(11(6-15-2)17-16-7)21(19,20)18-8-3-4-9(13)10(14)5-8/h3-5,15,18H,6H2,1-2H3,(H,16,17)
InChIKeyOTRHKXOVEUGHDP-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.14
Rot. Bonds5

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

N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106067066) has the molecular formula C12H14BrFN4O2S and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106067066
Molecular FormulaC12H14BrFN4O2S
Molecular Weight377.24 g/mol
Exact Mass376.00
IUPAC NameN-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H14BrFN4O2S/c1-7-12(11(6-15-2)17-16-7)21(19,20)18-8-3-4-9(13)10(14)5-8/h3-5,15,18H,6H2,1-2H3,(H,16,17)
InChIKeyOTRHKXOVEUGHDP-UHFFFAOYSA-N
XLogP2.14
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106088134
5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
CID 106032980
5-methyl-3-(methylaminomethyl)-N-(1H-pyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 114134468
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106073368
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
4-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106067063
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79049840

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (CID 106067066) is N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OTRHKXOVEUGHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4O2S/c1-7-12(11(6-15-2)17-16-7)21(19,20)18-8-3-4-9(13)10(14)5-8/h3-5,15,18H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 377.24 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106067066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).