2-(3,3,3-trifluoropropyl)benzenesulfonamide

C9H10F3NO2S — CID 11010480

IUPAC2-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)
InChIKeyPIJUMEVHGDAQBH-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.83
Rot. Bonds3

About 2-(3,3,3-trifluoropropyl)benzenesulfonamide

2-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 11010480) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID11010480
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)
InChIKeyPIJUMEVHGDAQBH-UHFFFAOYSA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

P-Toluenesulfonamide
CID 6269
2-Methylbenzenesulfonamide
CID 6924
2-(Trifluoromethyl)benzenesulfonamide
CID 2778018
4-Ethylbenzenesulfonamide
CID 222870
4-Butylbenzenesulfonamide
CID 2054776
4-Propylbenzenesulfonamide
CID 2265561
m-Toluenesulphonamide
CID 74697
Phenyldifluoromethanesulfonamide
CID 12195854
4-(Trifluoromethyl)benzenesulfonamide
CID 70018
Ammonium cumenesulfonate (mixed isomers)
CID 161945
Ammonium Dodecylbenzenesulfonate
CID 21881409
4-Methylphenyl-difluoromethanesulfonamide
CID 44405177

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 2-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 11010480) is 2-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1CCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is PIJUMEVHGDAQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15).
What are the key properties of 2-(3,3,3-trifluoropropyl)benzenesulfonamide?
2-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 253.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 11010480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).