4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C10H10Br2N4O2S — CID 61284272

IUPAC4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NCc2ccn[nH]2)c(Br)c1
InChIInChI=1S/C10H10Br2N4O2S/c11-8-3-6(13)4-9(12)10(8)19(17,18)15-5-7-1-2-14-16-7/h1-4,15H,5,13H2,(H,14,16)
InChIKeyONYSEAFSFSMWNO-UHFFFAOYSA-N
MW410.09 g/mol
LogP2.00
Rot. Bonds4

About 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 61284272) has the molecular formula C10H10Br2N4O2S and a molecular weight of 410.09 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID61284272
Molecular FormulaC10H10Br2N4O2S
Molecular Weight410.09 g/mol
Exact Mass407.89
IUPAC Name4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NCc2ccn[nH]2)c(Br)c1
InChIInChI=1S/C10H10Br2N4O2S/c11-8-3-6(13)4-9(12)10(8)19(17,18)15-5-7-1-2-14-16-7/h1-4,15H,5,13H2,(H,14,16)
InChIKeyONYSEAFSFSMWNO-UHFFFAOYSA-N
XLogP2.00
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)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

4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259
4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 81438616
4-amino-2,6-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882267
2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide
CID 43257086
2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
CID 107651745
4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
CID 113464460
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61283363
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
CID 61457429
4-(2-chloroethyl)-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61286100
3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 61285265

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 61284272) is 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)NCc2ccn[nH]2)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is ONYSEAFSFSMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4O2S/c11-8-3-6(13)4-9(12)10(8)19(17,18)15-5-7-1-2-14-16-7/h1-4,15H,5,13H2,(H,14,16).
What are the key properties of 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 410.09 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61284272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).