4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide

C18H23NO4S — CID 22202165

IUPAC4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO4S/c1-5-13(2)14-6-9-16(10-7-14)24(20,21)19-15-8-11-17(22-3)18(12-15)23-4/h6-13,19H,5H2,1-4H3
InChIKeyZAAVOWGIHAIGMD-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.02
Rot. Bonds7

About 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide

4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide (PubChem CID 22202165) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
PubChem CID22202165
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO4S/c1-5-13(2)14-6-9-16(10-7-14)24(20,21)19-15-8-11-17(22-3)18(12-15)23-4/h6-13,19H,5H2,1-4H3
InChIKeyZAAVOWGIHAIGMD-UHFFFAOYSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
CID 8518583
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide (CID 22202165) is 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is ZAAVOWGIHAIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-13(2)14-6-9-16(10-7-14)24(20,21)19-15-8-11-17(22-3)18(12-15)23-4/h6-13,19H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 22202165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).