N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide

C11H11BrFN3O2S — CID 47318060

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cc(Br)ccc2F)cn1
InChIInChI=1S/C11H11BrFN3O2S/c1-16-7-10(6-14-16)19(17,18)15-5-8-4-9(12)2-3-11(8)13/h2-4,6-7,15H,5H2,1H3
InChIKeyZQGKIIOOCMDMGQ-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.80
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 47318060) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID47318060
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cc(Br)ccc2F)cn1
InChIInChI=1S/C11H11BrFN3O2S/c1-16-7-10(6-14-16)19(17,18)15-5-8-4-9(12)2-3-11(8)13/h2-4,6-7,15H,5H2,1H3
InChIKeyZQGKIIOOCMDMGQ-UHFFFAOYSA-N
XLogP1.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
CID 114808753
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 79530011
N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61300828
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 47318060) is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cc(Br)ccc2F)cn1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZQGKIIOOCMDMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-16-7-10(6-14-16)19(17,18)15-5-8-4-9(12)2-3-11(8)13/h2-4,6-7,15H,5H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 348.20 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 47318060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).