4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C16H26N2O3S — CID 858110

IUPAC4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)14-4-6-15(7-5-14)22(19,20)17-8-9-18-10-12-21-13-11-18/h4-7,17H,8-13H2,1-3H3
InChIKeyQGNMRVDUXWSMKA-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.59
Rot. Bonds5

About 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 858110) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID858110
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)14-4-6-15(7-5-14)22(19,20)17-8-9-18-10-12-21-13-11-18/h4-7,17H,8-13H2,1-3H3
InChIKeyQGNMRVDUXWSMKA-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.59
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-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 858110) is 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is QGNMRVDUXWSMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-16(2,3)14-4-6-15(7-5-14)22(19,20)17-8-9-18-10-12-21-13-11-18/h4-7,17H,8-13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 858110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).