N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide

C17H25N3O2S — CID 22578602

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C17H25N3O2S/c1-6-20-15(5)16(14(4)19-20)9-10-18-23(21,22)17-8-7-12(2)11-13(17)3/h7-8,11,18H,6,9-10H2,1-5H3
InChIKeyFVYAZUGJOAARAZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 22578602) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID22578602
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C17H25N3O2S/c1-6-20-15(5)16(14(4)19-20)9-10-18-23(21,22)17-8-7-12(2)11-13(17)3/h7-8,11,18H,6,9-10H2,1-5H3
InChIKeyFVYAZUGJOAARAZ-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 22771336
5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide
CID 22578604
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 22578603
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113086252
2,4-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110718643
2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033847
2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789248
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 110641726
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 134034026
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207611

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide (CID 22578602) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide is CCn1nc(C)c(CCNS(=O)(=O)c2ccc(C)cc2C)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is FVYAZUGJOAARAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-6-20-15(5)16(14(4)19-20)9-10-18-23(21,22)17-8-7-12(2)11-13(17)3/h7-8,11,18H,6,9-10H2,1-5H3.
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22578602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).