1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide

C10H8F7NO3S — CID 129295016

IUPAC1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F7NO3S/c1-21-7-4-2-6(3-5-7)18-22(19,20)10(16,17)8(11,12)9(13,14)15/h2-5,18H,1H3
InChIKeyADLGCKUUCSWECN-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.23
Rot. Bonds5

About 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide (PubChem CID 129295016) has the molecular formula C10H8F7NO3S and a molecular weight of 355.23 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide
PubChem CID129295016
Molecular FormulaC10H8F7NO3S
Molecular Weight355.23 g/mol
Exact Mass355.01
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F7NO3S/c1-21-7-4-2-6(3-5-7)18-22(19,20)10(16,17)8(11,12)9(13,14)15/h2-5,18H,1H3
InChIKeyADLGCKUUCSWECN-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.23
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

1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 129295014
1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
CID 129295019
(4-methoxyphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 10740082
[(4-methoxyphenyl)methyl-dimethyl-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 139975146
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485022
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
(E)-N-(4-methoxyphenyl)prop-1-ene-1-sulfonamide
CID 70401574
2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
CID 54199347
(Z)-4,4,5,5,6,6,6-heptafluoro-1-(4-methoxyanilino)hex-1-en-3-one
CID 101356177
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 778782

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide (CID 129295016) is 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide is COc1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide?
The InChIKey is ADLGCKUUCSWECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F7NO3S/c1-21-7-4-2-6(3-5-7)18-22(19,20)10(16,17)8(11,12)9(13,14)15/h2-5,18H,1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide has a molecular weight of 355.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 129295016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).