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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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).