N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide

C20H35FN2O2S — CID 10715209

IUPACN-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide
SMILESCCN(CCCCCCCF)CCCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H35FN2O2S/c1-3-23(17-9-6-4-5-8-16-21)18-10-7-11-19-12-14-20(15-13-19)22-26(2,24)25/h12-15,22H,3-11,16-18H2,1-2H3
InChIKeyVHZZMAQDUUCEGX-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.62
Rot. Bonds15

About N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide

N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide (PubChem CID 10715209) has the molecular formula C20H35FN2O2S and a molecular weight of 386.58 g/mol. Its IUPAC name is N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide
PubChem CID10715209
Molecular FormulaC20H35FN2O2S
Molecular Weight386.58 g/mol
Exact Mass386.24
IUPAC NameN-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide
SMILESCCN(CCCCCCCF)CCCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H35FN2O2S/c1-3-23(17-9-6-4-5-8-16-21)18-10-7-11-19-12-14-20(15-13-19)22-26(2,24)25/h12-15,22H,3-11,16-18H2,1-2H3
InChIKeyVHZZMAQDUUCEGX-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide (CID 10715209) is N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide is CCN(CCCCCCCF)CCCCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide?
The InChIKey is VHZZMAQDUUCEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FN2O2S/c1-3-23(17-9-6-4-5-8-16-21)18-10-7-11-19-12-14-20(15-13-19)22-26(2,24)25/h12-15,22H,3-11,16-18H2,1-2H3.
What are the key properties of N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide?
N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide has a molecular weight of 386.58 g/mol, XLogP of 4.62, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[ethyl(7-fluoroheptyl)amino]butyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10715209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).