1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide

C9H8F5NO3S — CID 129295019

IUPAC1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H8F5NO3S/c1-18-7-4-2-6(3-5-7)15-19(16,17)9(13,14)8(10,11)12/h2-5,15H,1H3
InChIKeyUZAXDALIIKVTOK-UHFFFAOYSA-N
MW305.22 g/mol
LogP2.59
Rot. Bonds4

About 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide

1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 129295019) has the molecular formula C9H8F5NO3S and a molecular weight of 305.22 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
PubChem CID129295019
Molecular FormulaC9H8F5NO3S
Molecular Weight305.22 g/mol
Exact Mass305.01
IUPAC Name1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H8F5NO3S/c1-18-7-4-2-6(3-5-7)15-19(16,17)9(13,14)8(10,11)12/h2-5,15H,1H3
InChIKeyUZAXDALIIKVTOK-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide
CID 129295016
1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 129295014
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid
CID 175006593
4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485022
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796
lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate
CID 175482443
(1R)-1-chloro-2,2,2-trifluoro-1-(4-methoxyanilino)ethanol
CID 124638592
(4-methoxyphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 10740082
(E)-N-(4-methoxyphenyl)prop-1-ene-1-sulfonamide
CID 70401574
3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 2380112
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide (CID 129295019) is 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(NS(=O)(=O)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is UZAXDALIIKVTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO3S/c1-18-7-4-2-6(3-5-7)15-19(16,17)9(13,14)8(10,11)12/h2-5,15H,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 305.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 129295019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).