4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide

C15H22F3N3O3S — CID 133329434

IUPAC4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C(C)N1CCOCC1
InChIInChI=1S/C15H22F3N3O3S/c1-10(11(2)21-5-7-24-8-6-21)20-12-3-4-14(25(19,22)23)13(9-12)15(16,17)18/h3-4,9-11,20H,5-8H2,1-2H3,(H2,19,22,23)
InChIKeyDJCFKWXSMZFJNZ-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.87
Rot. Bonds5

About 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide

4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133329434) has the molecular formula C15H22F3N3O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133329434
Molecular FormulaC15H22F3N3O3S
Molecular Weight381.42 g/mol
Exact Mass381.13
IUPAC Name4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C(C)N1CCOCC1
InChIInChI=1S/C15H22F3N3O3S/c1-10(11(2)21-5-7-24-8-6-21)20-12-3-4-14(25(19,22)23)13(9-12)15(16,17)18/h3-4,9-11,20H,5-8H2,1-2H3,(H2,19,22,23)
InChIKeyDJCFKWXSMZFJNZ-UHFFFAOYSA-N
XLogP1.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide (CID 133329434) is 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C(C)N1CCOCC1.
What is the InChIKey of 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DJCFKWXSMZFJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3S/c1-10(11(2)21-5-7-24-8-6-21)20-12-3-4-14(25(19,22)23)13(9-12)15(16,17)18/h3-4,9-11,20H,5-8H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 381.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133329434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).