3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide

C14H20N4O2S — CID 62002771

IUPAC3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)c2ccc(C)cc2C)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-5-18-9-13(14(15)16-18)21(19,20)17(4)12-7-6-10(2)8-11(12)3/h6-9H,5H2,1-4H3,(H2,15,16)
InChIKeyJCBCIDJUCLCBTF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.93
Rot. Bonds4

About 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide

3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide (PubChem CID 62002771) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
PubChem CID62002771
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)c2ccc(C)cc2C)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-5-18-9-13(14(15)16-18)21(19,20)17(4)12-7-6-10(2)8-11(12)3/h6-9H,5H2,1-4H3,(H2,15,16)
InChIKeyJCBCIDJUCLCBTF-UHFFFAOYSA-N
XLogP1.93
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358817
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760
3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
CID 62002029
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
3-amino-1-ethyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
CID 61139222
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-1-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 61426376
3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide (CID 62002771) is 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)c2ccc(C)cc2C)c(N)n1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide?
The InChIKey is JCBCIDJUCLCBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-18-9-13(14(15)16-18)21(19,20)17(4)12-7-6-10(2)8-11(12)3/h6-9H,5H2,1-4H3,(H2,15,16).
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide?
3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.93, 4 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)-1-ethyl-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62002771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).