4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C17H25N3O2S — CID 22204133

IUPAC4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1
InChIInChI=1S/C17H25N3O2S/c1-5-14(3)16-7-9-17(10-8-16)23(21,22)19(4)12-15-11-18-20(6-2)13-15/h7-11,13-14H,5-6,12H2,1-4H3
InChIKeyZXGFZFQOUYXBIS-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.24
Rot. Bonds7

About 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 22204133) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID22204133
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1
InChIInChI=1S/C17H25N3O2S/c1-5-14(3)16-7-9-17(10-8-16)23(21,22)19(4)12-15-11-18-20(6-2)13-15/h7-11,13-14H,5-6,12H2,1-4H3
InChIKeyZXGFZFQOUYXBIS-UHFFFAOYSA-N
XLogP3.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.24
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-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204130
4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide
CID 44822214
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090600
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2S)-butan-2-yl]-N-methylbenzenesulfonamide
CID 29092810
4-butan-2-yl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
CID 44822142
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-butan-2-yl-N-methylbenzenesulfonamide
CID 44822155
4-[(2R)-butan-2-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26011051
4-butan-2-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519000
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
4-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 44822169
4-[(2R)-butan-2-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 29095288

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 22204133) is 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is ZXGFZFQOUYXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-5-14(3)16-7-9-17(10-8-16)23(21,22)19(4)12-15-11-18-20(6-2)13-15/h7-11,13-14H,5-6,12H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 22204133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).