4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide

C19H25NO3S — CID 22201321

IUPAC4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO3S/c1-5-14(2)16-8-12-19(13-9-16)24(21,22)20-15(3)17-6-10-18(23-4)11-7-17/h6-15,20H,5H2,1-4H3
InChIKeyJEZZEAQMLMAOKW-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.25
Rot. Bonds7

About 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide

4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 22201321) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID22201321
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO3S/c1-5-14(2)16-8-12-19(13-9-16)24(21,22)20-15(3)17-6-10-18(23-4)11-7-17/h6-15,20H,5H2,1-4H3
InChIKeyJEZZEAQMLMAOKW-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide (CID 22201321) is 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is JEZZEAQMLMAOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-5-14(2)16-8-12-19(13-9-16)24(21,22)20-15(3)17-6-10-18(23-4)11-7-17/h6-15,20H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22201321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).