N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

C13H17N3O2S — CID 22773725

IUPACN-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C13H17N3O2S/c1-9-6-5-7-10(2)13(9)15-19(17,18)12-8-14-16(4)11(12)3/h5-8,15H,1-4H3
InChIKeyBAAGIIZUBCFGQQ-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.15
Rot. Bonds3

About N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22773725) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22773725
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C13H17N3O2S/c1-9-6-5-7-10(2)13(9)15-19(17,18)12-8-14-16(4)11(12)3/h5-8,15H,1-4H3
InChIKeyBAAGIIZUBCFGQQ-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide
CID 22772134
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22202990
N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22203197
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
CID 22774102
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461294
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771717
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771887

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 22773725) is N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1cnn(C)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is BAAGIIZUBCFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-6-5-7-10(2)13(9)15-19(17,18)12-8-14-16(4)11(12)3/h5-8,15H,1-4H3.
What are the key properties of N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).