4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide

C19H32N2O3S — CID 42938553

IUPAC4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C19H32N2O3S/c1-15(2)18(21-10-12-24-13-11-21)14-20-25(22,23)17-8-6-16(7-9-17)19(3,4)5/h6-9,15,18,20H,10-14H2,1-5H3
InChIKeyHTJYPUYUKKFRBP-UHFFFAOYSA-N
MW368.54 g/mol
LogP2.62
Rot. Bonds6

About 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide

4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide (PubChem CID 42938553) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
PubChem CID42938553
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C19H32N2O3S/c1-15(2)18(21-10-12-24-13-11-21)14-20-25(22,23)17-8-6-16(7-9-17)19(3,4)5/h6-9,15,18,20H,10-14H2,1-5H3
InChIKeyHTJYPUYUKKFRBP-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.62
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-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide (CID 42938553) is 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)N1CCOCC1.
What is the InChIKey of 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide?
The InChIKey is HTJYPUYUKKFRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-15(2)18(21-10-12-24-13-11-21)14-20-25(22,23)17-8-6-16(7-9-17)19(3,4)5/h6-9,15,18,20H,10-14H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide?
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide has a molecular weight of 368.54 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 42938553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).