N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C16H24FN3O4S — CID 2427623

IUPACN-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C16H24FN3O4S/c1-19(2)7-3-6-18-16(21)14-12-13(4-5-15(14)17)25(22,23)20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)
InChIKeySSKJKVRAUCXTPB-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.53
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2427623) has the molecular formula C16H24FN3O4S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2427623
Molecular FormulaC16H24FN3O4S
Molecular Weight373.45 g/mol
Exact Mass373.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C16H24FN3O4S/c1-19(2)7-3-6-18-16(21)14-12-13(4-5-15(14)17)25(22,23)20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)
InChIKeySSKJKVRAUCXTPB-UHFFFAOYSA-N
XLogP0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 2427623) is N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is CN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SSKJKVRAUCXTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4S/c1-19(2)7-3-6-18-16(21)14-12-13(4-5-15(14)17)25(22,23)20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 373.45 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2427623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).