4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide

C18H27N3O2S — CID 22209009

IUPAC4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC(C)c2cnn(CC)c2C)cc1
InChIInChI=1S/C18H27N3O2S/c1-5-7-8-16-9-11-17(12-10-16)24(22,23)20-14(3)18-13-19-21(6-2)15(18)4/h9-14,20H,5-8H2,1-4H3
InChIKeyWLTQLZAUSBXNMA-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.59
Rot. Bonds8

About 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide

4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 22209009) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID22209009
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC(C)c2cnn(CC)c2C)cc1
InChIInChI=1S/C18H27N3O2S/c1-5-7-8-16-9-11-17(12-10-16)24(22,23)20-14(3)18-13-19-21(6-2)15(18)4/h9-14,20H,5-8H2,1-4H3
InChIKeyWLTQLZAUSBXNMA-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 22209033
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208904
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
diethyl 2-[(4-butylphenyl)sulfonylamino]propanedioate
CID 5007632
1-butyl-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]urea
CID 17267001
4-butylbenzenesulfonohydrazide
CID 17255521
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22771286
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 22209009) is 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NC(C)c2cnn(CC)c2C)cc1.
What is the InChIKey of 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is WLTQLZAUSBXNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-5-7-8-16-9-11-17(12-10-16)24(22,23)20-14(3)18-13-19-21(6-2)15(18)4/h9-14,20H,5-8H2,1-4H3.
What are the key properties of 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 349.50 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22209009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).