4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide

C15H15ClFNO2S — CID 66978869

IUPAC4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-2-15(11-3-7-13(17)8-4-11)18-21(19,20)14-9-5-12(16)6-10-14/h3-10,15,18H,2H2,1H3
InChIKeyZTDBGLXQSSZPIO-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.91
Rot. Bonds5

About 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide

4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide (PubChem CID 66978869) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
PubChem CID66978869
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-2-15(11-3-7-13(17)8-4-11)18-21(19,20)14-9-5-12(16)6-10-14/h3-10,15,18H,2H2,1H3
InChIKeyZTDBGLXQSSZPIO-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide
CID 133189853
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
CID 22201214
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
CID 23353815
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide (CID 66978869) is 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide?
The InChIKey is ZTDBGLXQSSZPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-2-15(11-3-7-13(17)8-4-11)18-21(19,20)14-9-5-12(16)6-10-14/h3-10,15,18H,2H2,1H3.
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide?
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 66978869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).