2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride

C9H6Cl2F3NO3S — CID 65371621

IUPAC2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H6Cl2F3NO3S/c10-6-2-1-5(3-7(6)19(11,17)18)8(16)15-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyGVSRQTWEEDMYMN-UHFFFAOYSA-N
MW336.12 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride

2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65371621) has the molecular formula C9H6Cl2F3NO3S and a molecular weight of 336.12 g/mol. Its IUPAC name is 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65371621
Molecular FormulaC9H6Cl2F3NO3S
Molecular Weight336.12 g/mol
Exact Mass334.94
IUPAC Name2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H6Cl2F3NO3S/c10-6-2-1-5(3-7(6)19(11,17)18)8(16)15-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyGVSRQTWEEDMYMN-UHFFFAOYSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
2-chloro-5-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115522582
2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370091
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368933
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24602856
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride
CID 88831964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride (CID 65371621) is 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride is O=C(NCC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is GVSRQTWEEDMYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO3S/c10-6-2-1-5(3-7(6)19(11,17)18)8(16)15-4-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 336.12 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65371621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).