5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide

C9H8Br2N4O2S — CID 107596356

IUPAC5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H8Br2N4O2S/c10-5-2-1-3-6(11)8(5)15-18(16,17)7-4-13-14-9(7)12/h1-4,15H,(H3,12,13,14)
InChIKeyHXLCJBZWFZWCQR-UHFFFAOYSA-N
MW396.06 g/mol
LogP2.32
Rot. Bonds3

About 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107596356) has the molecular formula C9H8Br2N4O2S and a molecular weight of 396.06 g/mol. Its IUPAC name is 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID107596356
Molecular FormulaC9H8Br2N4O2S
Molecular Weight396.06 g/mol
Exact Mass393.87
IUPAC Name5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H8Br2N4O2S/c10-5-2-1-3-6(11)8(5)15-18(16,17)7-4-13-14-9(7)12/h1-4,15H,(H3,12,13,14)
InChIKeyHXLCJBZWFZWCQR-UHFFFAOYSA-N
XLogP2.32
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922613
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801
5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 106759379
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide (CID 107596356) is 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HXLCJBZWFZWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N4O2S/c10-5-2-1-3-6(11)8(5)15-18(16,17)7-4-13-14-9(7)12/h1-4,15H,(H3,12,13,14).
What are the key properties of 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 396.06 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107596356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).