N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide

C17H18FNO3S — CID 41274515

IUPACN-benzyl-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-15-8-10-16(11-9-15)23(21,22)12-4-7-17(20)19-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,20)
InChIKeyMIGUSQNVSOKXMX-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.70
Rot. Bonds7

About N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide

N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 41274515) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)sulfonylbutanamide
PubChem CID41274515
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-benzyl-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-15-8-10-16(11-9-15)23(21,22)12-4-7-17(20)19-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,20)
InChIKeyMIGUSQNVSOKXMX-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide (CID 41274515) is N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide is O=C(CCCS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is MIGUSQNVSOKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-15-8-10-16(11-9-15)23(21,22)12-4-7-17(20)19-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,20).
What are the key properties of N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide?
N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 335.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 41274515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).