N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide

C9H7BrIN3O2S — CID 113231021

IUPACN-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(I)ccc1Br)c1cn[nH]c1
InChIInChI=1S/C9H7BrIN3O2S/c10-8-2-1-6(11)3-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyXDKHSTDPXDMOLE-UHFFFAOYSA-N
MW428.05 g/mol
LogP2.58
Rot. Bonds3

About N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide

N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 113231021) has the molecular formula C9H7BrIN3O2S and a molecular weight of 428.05 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID113231021
Molecular FormulaC9H7BrIN3O2S
Molecular Weight428.05 g/mol
Exact Mass426.85
IUPAC NameN-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(I)ccc1Br)c1cn[nH]c1
InChIInChI=1S/C9H7BrIN3O2S/c10-8-2-1-6(11)3-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyXDKHSTDPXDMOLE-UHFFFAOYSA-N
XLogP2.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.05
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 61273698
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(4-bromo-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 79767477
N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114259506
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide (CID 113231021) is N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cc(I)ccc1Br)c1cn[nH]c1.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is XDKHSTDPXDMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrIN3O2S/c10-8-2-1-6(11)3-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13).
What are the key properties of N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide?
N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 428.05 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113231021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).