N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C15H21FN2O4S — CID 5143736

IUPACN-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C15H21FN2O4S/c1-2-3-6-17-15(19)13-11-12(4-5-14(13)16)23(20,21)18-7-9-22-10-8-18/h4-5,11H,2-3,6-10H2,1H3,(H,17,19)
InChIKeyFAIJEMZIQORRSU-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.38
Rot. Bonds6

About N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 5143736) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID5143736
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC NameN-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C15H21FN2O4S/c1-2-3-6-17-15(19)13-11-12(4-5-14(13)16)23(20,21)18-7-9-22-10-8-18/h4-5,11H,2-3,6-10H2,1H3,(H,17,19)
InChIKeyFAIJEMZIQORRSU-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
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 N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 5143736) is N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FAIJEMZIQORRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-2-3-6-17-15(19)13-11-12(4-5-14(13)16)23(20,21)18-7-9-22-10-8-18/h4-5,11H,2-3,6-10H2,1H3,(H,17,19).
What are the key properties of N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5143736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).