3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H12BrClN4O2S — CID 103477293

IUPAC3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc(Cl)c2Br)c(N)nn1C
InChIInChI=1S/C11H12BrClN4O2S/c1-6-10(11(14)15-17(6)2)20(18,19)16-8-5-3-4-7(13)9(8)12/h3-5,16H,1-2H3,(H2,14,15)
InChIKeyNOUXTCXFCILJGX-UHFFFAOYSA-N
MW379.67 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 103477293) has the molecular formula C11H12BrClN4O2S and a molecular weight of 379.67 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID103477293
Molecular FormulaC11H12BrClN4O2S
Molecular Weight379.67 g/mol
Exact Mass377.96
IUPAC Name3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc(Cl)c2Br)c(N)nn1C
InChIInChI=1S/C11H12BrClN4O2S/c1-6-10(11(14)15-17(6)2)20(18,19)16-8-5-3-4-7(13)9(8)12/h3-5,16H,1-2H3,(H2,14,15)
InChIKeyNOUXTCXFCILJGX-UHFFFAOYSA-N
XLogP2.53
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359202
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359094
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359179
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 103477293) is 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2cccc(Cl)c2Br)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is NOUXTCXFCILJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O2S/c1-6-10(11(14)15-17(6)2)20(18,19)16-8-5-3-4-7(13)9(8)12/h3-5,16H,1-2H3,(H2,14,15).
What are the key properties of 3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 379.67 g/mol, XLogP of 2.53, 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-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 103477293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).