N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide

C8H7ClF3NO2S — CID 66604460

IUPACN-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO2S/c9-7-4-2-1-3-6(7)5-13-16(14,15)8(10,11)12/h1-4,13H,5H2
InChIKeyYJACRCQSJSLGGK-UHFFFAOYSA-N
MW273.66 g/mol
LogP2.28
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide

N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 66604460) has the molecular formula C8H7ClF3NO2S and a molecular weight of 273.66 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID66604460
Molecular FormulaC8H7ClF3NO2S
Molecular Weight273.66 g/mol
Exact Mass272.98
IUPAC NameN-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO2S/c9-7-4-2-1-3-6(7)5-13-16(14,15)8(10,11)12/h1-4,13H,5H2
InChIKeyYJACRCQSJSLGGK-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
CID 53497721
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
2-methylbutan-2-ylbenzene;N-(trifluoromethylsulfonyl)sulfamoyl chloride
CID 91503900
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873154
4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3753093
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide (CID 66604460) is N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YJACRCQSJSLGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2S/c9-7-4-2-1-3-6(7)5-13-16(14,15)8(10,11)12/h1-4,13H,5H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide?
N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 273.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 66604460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).