N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide

C21H18FNO3S — CID 174893416

IUPACN-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
SMILESO=C(c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H18FNO3S/c22-19-6-4-5-18(15-19)21(24)17-11-9-16(10-12-17)13-14-23-27(25,26)20-7-2-1-3-8-20/h1-12,15,23H,13-14H2
InChIKeyXVSYIVTWYNWDPX-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.58
Rot. Bonds7

About N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide

N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 174893416) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
PubChem CID174893416
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC NameN-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
SMILESO=C(c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H18FNO3S/c22-19-6-4-5-18(15-19)21(24)17-11-9-16(10-12-17)13-14-23-27(25,26)20-7-2-1-3-8-20/h1-12,15,23H,13-14H2
InChIKeyXVSYIVTWYNWDPX-UHFFFAOYSA-N
XLogP3.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 156828632
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
2-[4-[2-(benzenesulfonamido)ethyl]phenyl]acetamide
CID 54332606

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide (CID 174893416) is N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide is O=C(c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is XVSYIVTWYNWDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c22-19-6-4-5-18(15-19)21(24)17-11-9-16(10-12-17)13-14-23-27(25,26)20-7-2-1-3-8-20/h1-12,15,23H,13-14H2.
What are the key properties of N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide?
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 383.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 174893416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).