4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide

C15H20N4O3S — CID 71688203

IUPAC4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC)cc2)c1C
InChIInChI=1S/C15H20N4O3S/c1-5-19-11(3)14(10(2)17-19)23(21,22)18-13-8-6-12(7-9-13)15(20)16-4/h6-9,18H,5H2,1-4H3,(H,16,20)
InChIKeyLFZNLHKXRMDMFP-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.68
Rot. Bonds5

About 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide

4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide (PubChem CID 71688203) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
PubChem CID71688203
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC)cc2)c1C
InChIInChI=1S/C15H20N4O3S/c1-5-19-11(3)14(10(2)17-19)23(21,22)18-13-8-6-12(7-9-13)15(20)16-4/h6-9,18H,5H2,1-4H3,(H,16,20)
InChIKeyLFZNLHKXRMDMFP-UHFFFAOYSA-N
XLogP1.68
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 171133591
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
1-ethyl-3,5-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-4-sulfonamide
CID 122290530
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122322126
1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122284580
1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 71688195
1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide
CID 122302530
1-ethyl-3,5-dimethyl-N-(5-methylpyrazin-2-yl)pyrazole-4-sulfonamide
CID 146141237
1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 75519495
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 35764851

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide (CID 71688203) is 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide is CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC)cc2)c1C.
What is the InChIKey of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide?
The InChIKey is LFZNLHKXRMDMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-19-11(3)14(10(2)17-19)23(21,22)18-13-8-6-12(7-9-13)15(20)16-4/h6-9,18H,5H2,1-4H3,(H,16,20).
What are the key properties of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide?
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide has a molecular weight of 336.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 71688203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).