2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide

C8H4ClF4NO3S — CID 134087950

IUPAC2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C8H4ClF4NO3S/c9-4-2-1-3-5(10)6(4)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15)
InChIKeyMUEYSKVGWQIWNA-UHFFFAOYSA-N
MW305.64 g/mol
LogP2.06
Rot. Bonds2

About 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide

2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 134087950) has the molecular formula C8H4ClF4NO3S and a molecular weight of 305.64 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide
PubChem CID134087950
Molecular FormulaC8H4ClF4NO3S
Molecular Weight305.64 g/mol
Exact Mass304.95
IUPAC Name2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C8H4ClF4NO3S/c9-4-2-1-3-5(10)6(4)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15)
InChIKeyMUEYSKVGWQIWNA-UHFFFAOYSA-N
XLogP2.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide
CID 134087949
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide
CID 155621555
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide (CID 134087950) is 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide is O=C(NS(=O)(=O)C(F)(F)F)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is MUEYSKVGWQIWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO3S/c9-4-2-1-3-5(10)6(4)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide?
2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 305.64 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 134087950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).