N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide

C16H23N3O2S — CID 22774427

IUPACN-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1cn(CC)nc1C
InChIInChI=1S/C16H23N3O2S/c1-5-12(3)14-9-7-8-10-15(14)18-22(20,21)16-11-19(6-2)17-13(16)4/h7-12,18H,5-6H2,1-4H3
InChIKeyCEPYSPWOCKSLHZ-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.53
Rot. Bonds6

About N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide

N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 22774427) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID22774427
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1cn(CC)nc1C
InChIInChI=1S/C16H23N3O2S/c1-5-12(3)14-9-7-8-10-15(14)18-22(20,21)16-11-19(6-2)17-13(16)4/h7-12,18H,5-6H2,1-4H3
InChIKeyCEPYSPWOCKSLHZ-UHFFFAOYSA-N
XLogP3.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774401
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide
CID 22772303
1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide
CID 22774154
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 22774427) is N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is CCC(C)c1ccccc1NS(=O)(=O)c1cn(CC)nc1C.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is CEPYSPWOCKSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-5-12(3)14-9-7-8-10-15(14)18-22(20,21)16-11-19(6-2)17-13(16)4/h7-12,18H,5-6H2,1-4H3.
What are the key properties of N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22774427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).