N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide

C18H18FNO4S — CID 148678846

IUPACN-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)c1cccc(OCC2CC2)c1
InChIInChI=1S/C18H18FNO4S/c19-16-6-1-2-7-18(16)25(22,23)20-11-17(21)14-4-3-5-15(10-14)24-12-13-8-9-13/h1-7,10,13,20H,8-9,11-12H2
InChIKeyNREPJXRORMCGSV-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.78
Rot. Bonds8

About N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide

N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide (PubChem CID 148678846) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide
PubChem CID148678846
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC NameN-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)c1cccc(OCC2CC2)c1
InChIInChI=1S/C18H18FNO4S/c19-16-6-1-2-7-18(16)25(22,23)20-11-17(21)14-4-3-5-15(10-14)24-12-13-8-9-13/h1-7,10,13,20H,8-9,11-12H2
InChIKeyNREPJXRORMCGSV-UHFFFAOYSA-N
XLogP2.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide (CID 148678846) is N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1F)c1cccc(OCC2CC2)c1.
What is the InChIKey of N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
The InChIKey is NREPJXRORMCGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-16-6-1-2-7-18(16)25(22,23)20-11-17(21)14-4-3-5-15(10-14)24-12-13-8-9-13/h1-7,10,13,20H,8-9,11-12H2.
What are the key properties of N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide?
N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 148678846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).