1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide

C15H15ClFNO2S — CID 43908400

IUPAC1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11(13-4-8-15(17)9-5-13)18-21(19,20)10-12-2-6-14(16)7-3-12/h2-9,11,18H,10H2,1H3
InChIKeyOUTXYVNJNLRGRR-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 43908400) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
PubChem CID43908400
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11(13-4-8-15(17)9-5-13)18-21(19,20)10-12-2-6-14(16)7-3-12/h2-9,11,18H,10H2,1H3
InChIKeyOUTXYVNJNLRGRR-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 92671846
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol
CID 69294035
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1-sulfonamide
CID 114009928
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide (CID 43908400) is 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide is CC(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is OUTXYVNJNLRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-11(13-4-8-15(17)9-5-13)18-21(19,20)10-12-2-6-14(16)7-3-12/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 43908400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).