1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide

C15H15ClFNO2S2 — CID 99951031

IUPAC1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFNO2S2/c1-2-21-15-9-4-3-8-14(15)18-22(19,20)10-11-12(16)6-5-7-13(11)17/h3-9,18H,2,10H2,1H3
InChIKeyJZKJBNXYLAKMIZ-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.53
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide (PubChem CID 99951031) has the molecular formula C15H15ClFNO2S2 and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide
PubChem CID99951031
Molecular FormulaC15H15ClFNO2S2
Molecular Weight359.88 g/mol
Exact Mass359.02
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFNO2S2/c1-2-21-15-9-4-3-8-14(15)18-22(19,20)10-11-12(16)6-5-7-13(11)17/h3-9,18H,2,10H2,1H3
InChIKeyJZKJBNXYLAKMIZ-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
1-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)methanesulfonamide
CID 18891408
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202290
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
N-[(4-chloro-2-fluorophenyl)methyl]-2-ethylsulfanylaniline
CID 114842098
2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231940

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide (CID 99951031) is 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide is CCSc1ccccc1NS(=O)(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide?
The InChIKey is JZKJBNXYLAKMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S2/c1-2-21-15-9-4-3-8-14(15)18-22(19,20)10-11-12(16)6-5-7-13(11)17/h3-9,18H,2,10H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide has a molecular weight of 359.88 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide is sourced from PubChem (CID 99951031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).