2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

C11H11Br2N3O2S — CID 113257792

IUPAC2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)n[nH]1
InChIInChI=1S/C11H11Br2N3O2S/c1-2-8-6-11(15-14-8)16-19(17,18)10-4-3-7(12)5-9(10)13/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyRRXFPRWOJAMGJY-UHFFFAOYSA-N
MW409.10 g/mol
LogP3.30
Rot. Bonds4

About 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 113257792) has the molecular formula C11H11Br2N3O2S and a molecular weight of 409.10 g/mol. Its IUPAC name is 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID113257792
Molecular FormulaC11H11Br2N3O2S
Molecular Weight409.10 g/mol
Exact Mass406.89
IUPAC Name2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)n[nH]1
InChIInChI=1S/C11H11Br2N3O2S/c1-2-8-6-11(15-14-8)16-19(17,18)10-4-3-7(12)5-9(10)13/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyRRXFPRWOJAMGJY-UHFFFAOYSA-N
XLogP3.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.10
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide 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-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104616810
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455
1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621211
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 113258813
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 113257792) is 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)n[nH]1.
What is the InChIKey of 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is RRXFPRWOJAMGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O2S/c1-2-8-6-11(15-14-8)16-19(17,18)10-4-3-7(12)5-9(10)13/h3-6H,2H2,1H3,(H2,14,15,16).
What are the key properties of 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 409.10 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 113257792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).