N,4-ditert-butylbenzenesulfonamide

C14H23NO2S — CID 868579

IUPACN,4-ditert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-13(2,3)11-7-9-12(10-8-11)18(16,17)15-14(4,5)6/h7-10,15H,1-6H3
InChIKeyHGVKCTUEEZUJNI-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.06
Rot. Bonds2

About N,4-ditert-butylbenzenesulfonamide

N,4-ditert-butylbenzenesulfonamide (PubChem CID 868579) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N,4-ditert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN,4-ditert-butylbenzenesulfonamide
PubChem CID868579
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN,4-ditert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-13(2,3)11-7-9-12(10-8-11)18(16,17)15-14(4,5)6/h7-10,15H,1-6H3
InChIKeyHGVKCTUEEZUJNI-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.06
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 N,4-ditert-butylbenzenesulfonamide?
The IUPAC name of N,4-ditert-butylbenzenesulfonamide (CID 868579) is N,4-ditert-butylbenzenesulfonamide.
What is the SMILES notation for N,4-ditert-butylbenzenesulfonamide?
The canonical SMILES for N,4-ditert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N,4-ditert-butylbenzenesulfonamide?
The InChIKey is HGVKCTUEEZUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-13(2,3)11-7-9-12(10-8-11)18(16,17)15-14(4,5)6/h7-10,15H,1-6H3.
What are the key properties of N,4-ditert-butylbenzenesulfonamide?
N,4-ditert-butylbenzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butylbenzenesulfonamide is sourced from PubChem (CID 868579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).