3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H12Cl2N4O2S — CID 105359031

IUPAC3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(N)nn1C
InChIInChI=1S/C11H12Cl2N4O2S/c1-6-10(11(14)15-17(6)2)20(18,19)16-9-7(12)4-3-5-8(9)13/h3-5,16H,1-2H3,(H2,14,15)
InChIKeyMJWZJFIQMCPMPO-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105359031) has the molecular formula C11H12Cl2N4O2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105359031
Molecular FormulaC11H12Cl2N4O2S
Molecular Weight335.22 g/mol
Exact Mass334.01
IUPAC Name3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(N)nn1C
InChIInChI=1S/C11H12Cl2N4O2S/c1-6-10(11(14)15-17(6)2)20(18,19)16-9-7(12)4-3-5-8(9)13/h3-5,16H,1-2H3,(H2,14,15)
InChIKeyMJWZJFIQMCPMPO-UHFFFAOYSA-N
XLogP2.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 103477293
3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359202
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358658

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105359031) is 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is MJWZJFIQMCPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S/c1-6-10(11(14)15-17(6)2)20(18,19)16-9-7(12)4-3-5-8(9)13/h3-5,16H,1-2H3,(H2,14,15).
What are the key properties of 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 335.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).