3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide

C16H15ClF3NO3S — CID 55681643

IUPAC3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H15ClF3NO3S/c1-10(11-3-5-12(18)6-4-11)21(2)25(22,23)13-7-8-15(14(17)9-13)24-16(19)20/h3-10,16H,1-2H3
InChIKeyYFYVOACAVKWXFR-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.46
Rot. Bonds6

About 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide

3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 55681643) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID55681643
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H15ClF3NO3S/c1-10(11-3-5-12(18)6-4-11)21(2)25(22,23)13-7-8-15(14(17)9-13)24-16(19)20/h3-10,16H,1-2H3
InChIKeyYFYVOACAVKWXFR-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 35391042
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
CID 66181484
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide (CID 55681643) is 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide is CC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is YFYVOACAVKWXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c1-10(11-3-5-12(18)6-4-11)21(2)25(22,23)13-7-8-15(14(17)9-13)24-16(19)20/h3-10,16H,1-2H3.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 393.81 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55681643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).