N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H11BrN4O2S — CID 82708048

IUPACN-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C12H11BrN4O2S/c1-7-12(8(2)16-15-7)20(18,19)17-11-4-3-10(13)5-9(11)6-14/h3-5,17H,1-2H3,(H,15,16)
InChIKeyLUAYNBNIUNBKRH-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.46
Rot. Bonds3

About N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 82708048) has the molecular formula C12H11BrN4O2S and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID82708048
Molecular FormulaC12H11BrN4O2S
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC NameN-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C12H11BrN4O2S/c1-7-12(8(2)16-15-7)20(18,19)17-11-4-3-10(13)5-9(11)6-14/h3-5,17H,1-2H3,(H,15,16)
InChIKeyLUAYNBNIUNBKRH-UHFFFAOYSA-N
XLogP2.46
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(4-bromo-2-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61274832
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79503403
N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112989910
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(2-amino-4,6-dibromophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43550690
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43551023

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 82708048) is N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LUAYNBNIUNBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2S/c1-7-12(8(2)16-15-7)20(18,19)17-11-4-3-10(13)5-9(11)6-14/h3-5,17H,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 355.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 82708048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).