3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide

C9H11F2NO3S — CID 81113749

IUPAC3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCF)c(F)c1
InChIInChI=1S/C9H11F2NO3S/c10-4-1-5-15-9-3-2-7(6-8(9)11)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyKHYIANUBFDUXFW-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.21
Rot. Bonds5

About 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide

3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide (PubChem CID 81113749) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
PubChem CID81113749
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCF)c(F)c1
InChIInChI=1S/C9H11F2NO3S/c10-4-1-5-15-9-3-2-7(6-8(9)11)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyKHYIANUBFDUXFW-UHFFFAOYSA-N
XLogP1.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 82913717
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
tert-butyl 16-(2-fluoro-4-sulfamoylphenoxy)hexadecanoate
CID 170650743
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
3-fluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82921786
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide (CID 81113749) is 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCCF)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide?
The InChIKey is KHYIANUBFDUXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c10-4-1-5-15-9-3-2-7(6-8(9)11)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14).
What are the key properties of 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide?
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide has a molecular weight of 251.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide is sourced from PubChem (CID 81113749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).