4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide

C15H25NO2S — CID 4876945

IUPAC4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C15H25NO2S/c1-6-12(3)13-8-10-14(11-9-13)19(17,18)16-15(4,5)7-2/h8-12,16H,6-7H2,1-5H3
InChIKeyXDJGXHVZPROPBF-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.67
Rot. Bonds6

About 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide

4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 4876945) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID4876945
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C15H25NO2S/c1-6-12(3)13-8-10-14(11-9-13)19(17,18)16-15(4,5)7-2/h8-12,16H,6-7H2,1-5H3
InChIKeyXDJGXHVZPROPBF-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 4876945) is 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC(C)(C)CC)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is XDJGXHVZPROPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-12(3)13-8-10-14(11-9-13)19(17,18)16-15(4,5)7-2/h8-12,16H,6-7H2,1-5H3.
What are the key properties of 4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-butan-2-yl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.67, 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-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 4876945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).