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

C9H7BrClN3O2S — CID 81274575

IUPACN-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)c1cn[nH]c1
InChIInChI=1S/C9H7BrClN3O2S/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)
InChIKeyIAWKQYKQIRHILF-UHFFFAOYSA-N
MW336.60 g/mol
LogP2.63
Rot. Bonds3

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

N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 81274575) has the molecular formula C9H7BrClN3O2S and a molecular weight of 336.60 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID81274575
Molecular FormulaC9H7BrClN3O2S
Molecular Weight336.60 g/mol
Exact Mass334.91
IUPAC NameN-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)c1cn[nH]c1
InChIInChI=1S/C9H7BrClN3O2S/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)
InChIKeyIAWKQYKQIRHILF-UHFFFAOYSA-N
XLogP2.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.60
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 113231021
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 81280632
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
6-amino-N-(2-bromo-5-chlorophenyl)-5-chloropyridine-3-sulfonamide
CID 81275515
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide (CID 81274575) is N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Br)c1cn[nH]c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IAWKQYKQIRHILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O2S/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-chlorophenyl)-1H-pyrazole-4-sulfonamide?
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 336.60 g/mol, XLogP of 2.63, 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-chlorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 81274575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).