1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

C14H12Cl2FNO2S — CID 46771997

IUPAC1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FNO2S/c15-13-6-3-11(7-14(13)16)9-21(19,20)18-8-10-1-4-12(17)5-2-10/h1-7,18H,8-9H2
InChIKeyIZKWXXJNMXRGDA-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.75
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (PubChem CID 46771997) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
PubChem CID46771997
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC Name1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FNO2S/c15-13-6-3-11(7-14(13)16)9-21(19,20)18-8-10-1-4-12(17)5-2-10/h1-7,18H,8-9H2
InChIKeyIZKWXXJNMXRGDA-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride
CID 120724178
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 56581852
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate
CID 56581815
1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
CID 56512863

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (CID 46771997) is 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is IZKWXXJNMXRGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c15-13-6-3-11(7-14(13)16)9-21(19,20)18-8-10-1-4-12(17)5-2-10/h1-7,18H,8-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 348.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 46771997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).