4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide

C14H22N2O3S — CID 19682519

IUPAC4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)12-4-6-13(7-5-12)20(17,18)15-16-8-10-19-11-9-16/h4-7,15H,8-11H2,1-3H3
InChIKeyWMARHRIGKQBNEL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds3

About 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide

4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 19682519) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
PubChem CID19682519
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)12-4-6-13(7-5-12)20(17,18)15-16-8-10-19-11-9-16/h4-7,15H,8-11H2,1-3H3
InChIKeyWMARHRIGKQBNEL-UHFFFAOYSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide (CID 19682519) is 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NN2CCOCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is WMARHRIGKQBNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)12-4-6-13(7-5-12)20(17,18)15-16-8-10-19-11-9-16/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide?
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 19682519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).