4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide

C11H12BrN3O2S — CID 17376813

IUPAC4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(Br)cc2)cnn1C
InChIInChI=1S/C11H12BrN3O2S/c1-8-11(7-13-15(8)2)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3
InChIKeyASAFYUOOEIFTBG-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.29
Rot. Bonds3

About 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 17376813) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID17376813
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(Br)cc2)cnn1C
InChIInChI=1S/C11H12BrN3O2S/c1-8-11(7-13-15(8)2)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3
InChIKeyASAFYUOOEIFTBG-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 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide (CID 17376813) is 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(Br)cc2)cnn1C.
What is the InChIKey of 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is ASAFYUOOEIFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-8-11(7-13-15(8)2)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3.
What are the key properties of 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide 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 4-bromo-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 17376813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).