N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide

C15H15ClFNO2S — CID 121371930

IUPACN-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11-2-8-14(9-3-11)21(19,20)18-10-15(17)12-4-6-13(16)7-5-12/h2-9,15,18H,10H2,1H3
InChIKeyZVSHLSMNGPGUMV-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide (PubChem CID 121371930) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide
PubChem CID121371930
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11-2-8-14(9-3-11)21(19,20)18-10-15(17)12-4-6-13(16)7-5-12/h2-9,15,18H,10H2,1H3
InChIKeyZVSHLSMNGPGUMV-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
1-(Benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine
CID 7197407
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
4-(2-{[(4-Chlorophenyl)sulfonyl]amino}ethyl)benzenesulfonamide
CID 2904660
N-Phenethyl-p-toluenesulfonamide
CID 225587
N-benzyl-3-chlorobenzene-1-sulfonamide
CID 2405255
N-[2-(4-chlorophenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 321643
1-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 2987124
2-chloro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 16306432
N-(4-chlorobenzyl)-2,4,6-trimethylbenzenesulfonamide
CID 808141

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide (CID 121371930) is N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(F)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide?
The InChIKey is ZVSHLSMNGPGUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-11-2-8-14(9-3-11)21(19,20)18-10-15(17)12-4-6-13(16)7-5-12/h2-9,15,18H,10H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 121371930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).