3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide

C11H13BrN4O2S — CID 55201167

IUPAC3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)nc2N)cc1Br
InChIInChI=1S/C11H13BrN4O2S/c1-7-3-4-8(5-9(7)12)15-19(17,18)10-6-16(2)14-11(10)13/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyZUHNETJVCPQADP-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 55201167) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID55201167
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)nc2N)cc1Br
InChIInChI=1S/C11H13BrN4O2S/c1-7-3-4-8(5-9(7)12)15-19(17,18)10-6-16(2)14-11(10)13/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyZUHNETJVCPQADP-UHFFFAOYSA-N
XLogP1.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 107786922
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide (CID 55201167) is 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C)nc2N)cc1Br.
What is the InChIKey of 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZUHNETJVCPQADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7-3-4-8(5-9(7)12)15-19(17,18)10-6-16(2)14-11(10)13/h3-6,15H,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 55201167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).