N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

C18H19N3O2S — CID 42283313

IUPACN-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N3O2S/c1-3-15-9-7-8-12-17(15)20-24(22,23)18-13-21(19-14(18)2)16-10-5-4-6-11-16/h4-13,20H,3H2,1-2H3
InChIKeyRRULRZIRSMNBGS-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.54
Rot. Bonds5

About N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283313) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283313
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N3O2S/c1-3-15-9-7-8-12-17(15)20-24(22,23)18-13-21(19-14(18)2)16-10-5-4-6-11-16/h4-13,20H,3H2,1-2H3
InChIKeyRRULRZIRSMNBGS-UHFFFAOYSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283333
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
CID 42283296
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(3,4-dichlorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283346
3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284724
N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774401
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283379
N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283238
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42283326
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283313) is N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C.
What is the InChIKey of N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is RRULRZIRSMNBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-15-9-7-8-12-17(15)20-24(22,23)18-13-21(19-14(18)2)16-10-5-4-6-11-16/h4-13,20H,3H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).