N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide

C11H12BrN3O2S — CID 80975298

IUPACN-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H12BrN3O2S/c1-2-8-5-9(12)3-4-11(8)15-18(16,17)10-6-13-14-7-10/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyYOMPDNBQNITRMY-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.54
Rot. Bonds4

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

N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 80975298) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID80975298
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H12BrN3O2S/c1-2-8-5-9(12)3-4-11(8)15-18(16,17)10-6-13-14-7-10/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyYOMPDNBQNITRMY-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 61273698
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267507
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 113231021
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide (CID 80975298) is N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YOMPDNBQNITRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-2-8-5-9(12)3-4-11(8)15-18(16,17)10-6-13-14-7-10/h3-7,15H,2H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 80975298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).