2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide

C16H23ClF3N3O3S — CID 4843890

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H23ClF3N3O3S/c1-3-23(4-2)9-5-8-21-15(24)11-22-27(25,26)12-6-7-14(17)13(10-12)16(18,19)20/h6-7,10,22H,3-5,8-9,11H2,1-2H3,(H,21,24)
InChIKeyKROTWAMLQUWSKE-UHFFFAOYSA-N
MW429.89 g/mol
LogP2.49
Rot. Bonds10

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide (PubChem CID 4843890) has the molecular formula C16H23ClF3N3O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide
PubChem CID4843890
Molecular FormulaC16H23ClF3N3O3S
Molecular Weight429.89 g/mol
Exact Mass429.11
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H23ClF3N3O3S/c1-3-23(4-2)9-5-8-21-15(24)11-22-27(25,26)12-6-7-14(17)13(10-12)16(18,19)20/h6-7,10,22H,3-5,8-9,11H2,1-2H3,(H,21,24)
InChIKeyKROTWAMLQUWSKE-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide (CID 4843890) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide is CCN(CC)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide?
The InChIKey is KROTWAMLQUWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClF3N3O3S/c1-3-23(4-2)9-5-8-21-15(24)11-22-27(25,26)12-6-7-14(17)13(10-12)16(18,19)20/h6-7,10,22H,3-5,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide has a molecular weight of 429.89 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide is sourced from PubChem (CID 4843890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).