4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C17H25N3O2S — CID 22204130

IUPAC4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1
InChIInChI=1S/C17H25N3O2S/c1-4-6-7-15-8-10-17(11-9-15)23(21,22)19(3)13-16-12-18-20(5-2)14-16/h8-12,14H,4-7,13H2,1-3H3
InChIKeyJOVZUXMOMYEKHO-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.07
Rot. Bonds8

About 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 22204130) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID22204130
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1
InChIInChI=1S/C17H25N3O2S/c1-4-6-7-15-8-10-17(11-9-15)23(21,22)19(3)13-16-12-18-20(5-2)14-16/h8-12,14H,4-7,13H2,1-3H3
InChIKeyJOVZUXMOMYEKHO-UHFFFAOYSA-N
XLogP3.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 22204132
4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204133
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090600
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline
CID 154782315
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-propylbenzenesulfonamide
CID 22771421
N-[(1-benzylpyrazol-4-yl)methyl]-4-bromo-N,3-dimethylbenzenesulfonamide
CID 26545286
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 22204130) is 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1.
What is the InChIKey of 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is JOVZUXMOMYEKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-6-7-15-8-10-17(11-9-15)23(21,22)19(3)13-16-12-18-20(5-2)14-16/h8-12,14H,4-7,13H2,1-3H3.
What are the key properties of 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 22204130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).