4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide

C19H25NO2S — CID 22773751

IUPAC4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(C(C)CC)cc1
InChIInChI=1S/C19H25NO2S/c1-5-14(3)17-10-12-18(13-11-17)23(21,22)20-19-15(4)8-7-9-16(19)6-2/h7-14,20H,5-6H2,1-4H3
InChIKeyTUFZSGYIHAWQPP-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.87
Rot. Bonds6

About 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide

4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide (PubChem CID 22773751) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
PubChem CID22773751
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(C(C)CC)cc1
InChIInChI=1S/C19H25NO2S/c1-5-14(3)17-10-12-18(13-11-17)23(21,22)20-19-15(4)8-7-9-16(19)6-2/h7-14,20H,5-6H2,1-4H3
InChIKeyTUFZSGYIHAWQPP-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide
CID 19683986
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267507
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide (CID 22773751) is 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccc(C(C)CC)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The InChIKey is TUFZSGYIHAWQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-5-14(3)17-10-12-18(13-11-17)23(21,22)20-19-15(4)8-7-9-16(19)6-2/h7-14,20H,5-6H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 22773751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).