N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide

C9H6F7NO3S — CID 164941118

IUPACN-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
SMILESO=S(=O)(NOC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H6F7NO3S/c10-7(8(11,12)13,9(14,15)16)20-17-21(18,19)6-4-2-1-3-5-6/h1-5,17H
InChIKeyASQWSXCPYPCQAU-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.69
Rot. Bonds4

About N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide

N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide (PubChem CID 164941118) has the molecular formula C9H6F7NO3S and a molecular weight of 341.20 g/mol. Its IUPAC name is N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
PubChem CID164941118
Molecular FormulaC9H6F7NO3S
Molecular Weight341.20 g/mol
Exact Mass341.00
IUPAC NameN-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
SMILESO=S(=O)(NOC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H6F7NO3S/c10-7(8(11,12)13,9(14,15)16)20-17-21(18,19)6-4-2-1-3-5-6/h1-5,17H
InChIKeyASQWSXCPYPCQAU-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzenesulfonamide
CID 7370
N-Hydroxybenzenesulfonamide
CID 69033
4-Fluorobenzenesulfonamide
CID 120231
3-Fluorobenzenesulfonamide
CID 150924
2-Fluorobenzenesulfonamide
CID 193663
2,4-Difluorobenzenesulfonamide
CID 574964
2,6-Difluorobenzenesulfonamide
CID 446274
3,5-Difluorobenzenesulfonamide
CID 446275
4-fluoro-N-hydroxybenzene-1-sulfonamide
CID 12635074
2,5-Difluorobenzenesulfonamide
CID 147822
2,3-Difluorobenzene-1-sulfonamide
CID 22736214
3,4-Difluorobenzenesulfonamide
CID 822865

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide?
The IUPAC name of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide (CID 164941118) is N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide?
The canonical SMILES for N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide is O=S(=O)(NOC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide?
The InChIKey is ASQWSXCPYPCQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7NO3S/c10-7(8(11,12)13,9(14,15)16)20-17-21(18,19)6-4-2-1-3-5-6/h1-5,17H.
What are the key properties of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide?
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide has a molecular weight of 341.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 164941118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).