2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride

C9H5Cl3F3NO3S — CID 65370091

IUPAC2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC(F)(F)F)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C9H5Cl3F3NO3S/c10-4-1-2-5(20(12,18)19)7(11)6(4)8(17)16-3-9(13,14)15/h1-2H,3H2,(H,16,17)
InChIKeyMVAMVZINMDNUJB-UHFFFAOYSA-N
MW370.56 g/mol
LogP3.21
Rot. Bonds3

About 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride

2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65370091) has the molecular formula C9H5Cl3F3NO3S and a molecular weight of 370.56 g/mol. Its IUPAC name is 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65370091
Molecular FormulaC9H5Cl3F3NO3S
Molecular Weight370.56 g/mol
Exact Mass368.90
IUPAC Name2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC(F)(F)F)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C9H5Cl3F3NO3S/c10-4-1-2-5(20(12,18)19)7(11)6(4)8(17)16-3-9(13,14)15/h1-2H,3H2,(H,16,17)
InChIKeyMVAMVZINMDNUJB-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
2,4-dichloro-3-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65396023
5-bromo-2-chloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370282
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide
CID 115408900
2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370240
2,4-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65366806
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114551487
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride (CID 65370091) is 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride is O=C(NCC(F)(F)F)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is MVAMVZINMDNUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3F3NO3S/c10-4-1-2-5(20(12,18)19)7(11)6(4)8(17)16-3-9(13,14)15/h1-2H,3H2,(H,16,17).
What are the key properties of 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 370.56 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).