N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide

C11H11BrFN3O2S — CID 6469729

IUPACN-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H11BrFN3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-11-4-3-8(12)5-10(11)13/h3-7,15H,2H2,1H3
InChIKeyYQIOMRQOXLBXHZ-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.61
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide

N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 6469729) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID6469729
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H11BrFN3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-11-4-3-8(12)5-10(11)13/h3-7,15H,2H2,1H3
InChIKeyYQIOMRQOXLBXHZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-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-(4-chloro-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6467959
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6467434
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
Benzenesulfonamide, 3-fluoro-4-(1H-pyrazol-1-yl)-
CID 54594288
N-(4-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682492
N,N-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 47439855
2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71912807
1-ethyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 6464781
N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 5295517
4-bromo-N-(1,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 17376813

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide (CID 6469729) is N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)cn1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is YQIOMRQOXLBXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-11-4-3-8(12)5-10(11)13/h3-7,15H,2H2,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide?
N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 348.20 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6469729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).