N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide

C16H23N3O2S — CID 22774401

IUPACN-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCCCc1ccccc1NS(=O)(=O)c1cn(CC)nc1C
InChIInChI=1S/C16H23N3O2S/c1-4-6-9-14-10-7-8-11-15(14)18-22(20,21)16-12-19(5-2)17-13(16)3/h7-8,10-12,18H,4-6,9H2,1-3H3
InChIKeyHOPKJPGKKMFWBQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.35
Rot. Bonds7

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

N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 22774401) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID22774401
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCCCc1ccccc1NS(=O)(=O)c1cn(CC)nc1C
InChIInChI=1S/C16H23N3O2S/c1-4-6-9-14-10-7-8-11-15(14)18-22(20,21)16-12-19(5-2)17-13(16)3/h7-8,10-12,18H,4-6,9H2,1-3H3
InChIKeyHOPKJPGKKMFWBQ-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774427
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774656
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22202397
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384

Frequently Asked Questions

What is the IUPAC name of N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 22774401) is N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is CCCCc1ccccc1NS(=O)(=O)c1cn(CC)nc1C.
What is the InChIKey of N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is HOPKJPGKKMFWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-6-9-14-10-7-8-11-15(14)18-22(20,21)16-12-19(5-2)17-13(16)3/h7-8,10-12,18H,4-6,9H2,1-3H3.
What are the key properties of N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22774401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).