4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C15H25NO2S — CID 19682074

IUPAC4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-7-15(5,6)16-19(17,18)13-10-8-12(9-11-13)14(2,3)4/h8-11,16H,7H2,1-6H3
InChIKeyPFBMSQAQABEBDT-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.45
Rot. Bonds4

About 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide

4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 19682074) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID19682074
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-7-15(5,6)16-19(17,18)13-10-8-12(9-11-13)14(2,3)4/h8-11,16H,7H2,1-6H3
InChIKeyPFBMSQAQABEBDT-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
4-Phenylbenzene-1-sulfonamide
CID 5017140
4-Ethylbenzenesulfonamide
CID 222870
4-Butylbenzenesulfonamide
CID 2054776
N-Butyl-p-toluenesulfonamide
CID 61285
4-Propylbenzenesulfonamide
CID 2265561
N-cyclopropyl-4-methylbenzene-1-sulfonamide
CID 4190095
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
4-tert-Butylbenzenesulfonamide
CID 222872
4-Pentylbenzenesulfonamide
CID 2053748
Cyclopentyl{[4-(methylethyl)phenyl]sulfonyl}amine
CID 6469335

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 19682074) is 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is PFBMSQAQABEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-7-15(5,6)16-19(17,18)13-10-8-12(9-11-13)14(2,3)4/h8-11,16H,7H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 19682074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).