4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C11H12BrN3O2S — CID 113237166

IUPAC4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2[nH]ncc2C)ccc1Br
InChIInChI=1S/C11H12BrN3O2S/c1-7-5-9(3-4-10(7)12)18(16,17)15-11-8(2)6-13-14-11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyVXOMQTVWMKTKNI-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.59
Rot. Bonds3

About 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 113237166) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID113237166
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2[nH]ncc2C)ccc1Br
InChIInChI=1S/C11H12BrN3O2S/c1-7-5-9(3-4-10(7)12)18(16,17)15-11-8(2)6-13-14-11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyVXOMQTVWMKTKNI-UHFFFAOYSA-N
XLogP2.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433906
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 3852469
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-bromo-3-methylbenzenesulfonamide
CID 79531351
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 113237166) is 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2[nH]ncc2C)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is VXOMQTVWMKTKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-7-5-9(3-4-10(7)12)18(16,17)15-11-8(2)6-13-14-11/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 113237166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).