N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide

C11H12BrN3O2S — CID 6467434

IUPACN-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C11H12BrN3O2S/c1-8-11(7-15(2)13-8)18(16,17)14-10-6-4-3-5-9(10)12/h3-7,14H,1-2H3
InChIKeyAJZBRFCOAQOVBU-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.29
Rot. Bonds3

About N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide

N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 6467434) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID6467434
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C11H12BrN3O2S/c1-8-11(7-15(2)13-8)18(16,17)14-10-6-4-3-5-9(10)12/h3-7,14H,1-2H3
InChIKeyAJZBRFCOAQOVBU-UHFFFAOYSA-N
XLogP2.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 6467434) is N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is AJZBRFCOAQOVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-8-11(7-15(2)13-8)18(16,17)14-10-6-4-3-5-9(10)12/h3-7,14H,1-2H3.
What are the key properties of N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6467434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).