2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride

C10H8ClF4NO3S — CID 65371150

IUPAC2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H8ClF4NO3S/c1-16(5-10(13,14)15)9(17)6-2-3-7(12)8(4-6)20(11,18)19/h2-4H,5H2,1H3
InChIKeySVVBAMHLLHBUSU-UHFFFAOYSA-N
MW333.69 g/mol
LogP2.39
Rot. Bonds3

About 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride

2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65371150) has the molecular formula C10H8ClF4NO3S and a molecular weight of 333.69 g/mol. Its IUPAC name is 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65371150
Molecular FormulaC10H8ClF4NO3S
Molecular Weight333.69 g/mol
Exact Mass332.98
IUPAC Name2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H8ClF4NO3S/c1-16(5-10(13,14)15)9(17)6-2-3-7(12)8(4-6)20(11,18)19/h2-4H,5H2,1H3
InChIKeySVVBAMHLLHBUSU-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.69
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 69057682
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride (CID 65371150) is 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride is CN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is SVVBAMHLLHBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO3S/c1-16(5-10(13,14)15)9(17)6-2-3-7(12)8(4-6)20(11,18)19/h2-4H,5H2,1H3.
What are the key properties of 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 333.69 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65371150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).