N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide

C24H24FNO3S — CID 18585994

IUPACN,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO3S/c25-22-13-15-23(16-14-22)30(28,29)17-7-12-24(27)26(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2
InChIKeyMVAOQUAYHSFHCP-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.61
Rot. Bonds9

About N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide

N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 18585994) has the molecular formula C24H24FNO3S and a molecular weight of 425.53 g/mol. Its IUPAC name is N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide
PubChem CID18585994
Molecular FormulaC24H24FNO3S
Molecular Weight425.53 g/mol
Exact Mass425.15
IUPAC NameN,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO3S/c25-22-13-15-23(16-14-22)30(28,29)17-7-12-24(27)26(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2
InChIKeyMVAOQUAYHSFHCP-UHFFFAOYSA-N
XLogP4.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide (CID 18585994) is N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide is O=C(CCCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is MVAOQUAYHSFHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3S/c25-22-13-15-23(16-14-22)30(28,29)17-7-12-24(27)26(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-19H2.
What are the key properties of N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide?
N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 425.53 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 18585994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).