N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide

C26H30FN3O3S — CID 155542286

IUPACN-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
SMILESCCN(CC)Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H30FN3O3S/c1-3-30(4-2)19-22-9-15-25(16-10-22)34(32,33)29-18-21-7-5-20(6-8-21)17-28-26(31)23-11-13-24(27)14-12-23/h5-16,29H,3-4,17-19H2,1-2H3,(H,28,31)
InChIKeyBFDUJJGYPDGUQH-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.08
Rot. Bonds11

About N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide

N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide (PubChem CID 155542286) has the molecular formula C26H30FN3O3S and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
PubChem CID155542286
Molecular FormulaC26H30FN3O3S
Molecular Weight483.61 g/mol
Exact Mass483.20
IUPAC NameN-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
SMILESCCN(CC)Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H30FN3O3S/c1-3-30(4-2)19-22-9-15-25(16-10-22)34(32,33)29-18-21-7-5-20(6-8-21)17-28-26(31)23-11-13-24(27)14-12-23/h5-16,29H,3-4,17-19H2,1-2H3,(H,28,31)
InChIKeyBFDUJJGYPDGUQH-UHFFFAOYSA-N
XLogP4.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide (CID 155542286) is N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide is CCN(CC)Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
The InChIKey is BFDUJJGYPDGUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3S/c1-3-30(4-2)19-22-9-15-25(16-10-22)34(32,33)29-18-21-7-5-20(6-8-21)17-28-26(31)23-11-13-24(27)14-12-23/h5-16,29H,3-4,17-19H2,1-2H3,(H,28,31).
What are the key properties of N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide?
N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide has a molecular weight of 483.61 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 155542286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).