3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide

C14H20N4O2S — CID 105358817

IUPAC3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(N)nn(C)c2C)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-9-6-7-12(10(2)8-9)18(5)21(19,20)13-11(3)17(4)16-14(13)15/h6-8H,1-5H3,(H2,15,16)
InChIKeyDQEBLLAHQDMPLK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.75
Rot. Bonds3

About 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide

3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide (PubChem CID 105358817) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide
PubChem CID105358817
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(N)nn(C)c2C)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-9-6-7-12(10(2)8-9)18(5)21(19,20)13-11(3)17(4)16-14(13)15/h6-8H,1-5H3,(H2,15,16)
InChIKeyDQEBLLAHQDMPLK-UHFFFAOYSA-N
XLogP1.75
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 62002771
4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62003332
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 20855724
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
(2,4-dimethylphenyl)-methylsulfamic acid
CID 19750978
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158827
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide (CID 105358817) is 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2c(N)nn(C)c2C)c(C)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DQEBLLAHQDMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9-6-7-12(10(2)8-9)18(5)21(19,20)13-11(3)17(4)16-14(13)15/h6-8H,1-5H3,(H2,15,16).
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).