5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide

C9H9ClF3NO3S — CID 64567349

IUPAC5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO3S/c10-6-1-2-7(8(5-6)18(14,15)16)17-4-3-9(11,12)13/h1-2,5H,3-4H2,(H2,14,15,16)
InChIKeyXSDNEZTXQCQFGA-UHFFFAOYSA-N
MW303.69 g/mol
LogP2.32
Rot. Bonds4

About 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide

5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide (PubChem CID 64567349) has the molecular formula C9H9ClF3NO3S and a molecular weight of 303.69 g/mol. Its IUPAC name is 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
PubChem CID64567349
Molecular FormulaC9H9ClF3NO3S
Molecular Weight303.69 g/mol
Exact Mass302.99
IUPAC Name5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO3S/c10-6-1-2-7(8(5-6)18(14,15)16)17-4-3-9(11,12)13/h1-2,5H,3-4H2,(H2,14,15,16)
InChIKeyXSDNEZTXQCQFGA-UHFFFAOYSA-N
XLogP2.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
5-chloro-2-(4-cyano-4-methylpentoxy)benzenesulfonamide
CID 82914643
5-chloro-2-(3,3,3-trifluoropropoxy)aniline
CID 62056679
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
CID 64566322
5-chloro-2-(3,3,3-trifluoropropoxy)benzenecarbothioamide
CID 82955460
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide (CID 64567349) is 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)ccc1OCCC(F)(F)F.
What is the InChIKey of 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide?
The InChIKey is XSDNEZTXQCQFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3S/c10-6-1-2-7(8(5-6)18(14,15)16)17-4-3-9(11,12)13/h1-2,5H,3-4H2,(H2,14,15,16).
What are the key properties of 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide?
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide has a molecular weight of 303.69 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide is sourced from PubChem (CID 64567349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).