4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

C11H12BrN3O2S — CID 22209076

IUPAC4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-8-11(7-15(2)13-8)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3
InChIKeyKJNZNPHHJDNLNU-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.29
Rot. Bonds3

About 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 22209076) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID22209076
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-8-11(7-15(2)13-8)14-18(16,17)10-5-3-9(12)4-6-10/h3-7,14H,1-2H3
InChIKeyKJNZNPHHJDNLNU-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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Related Compounds

3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
CID 102806229
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422470
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216
4-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920416
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
CID 102807205
N-(1,3-dimethylpyrazol-4-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327562
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (CID 22209076) is 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is KJNZNPHHJDNLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-8-11(7-15(2)13-8)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-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-N-(1,3-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-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 22209076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).