3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C9H9F4NO3S — CID 103834023

IUPAC3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C9H9F4NO3S/c10-6-2-1-3-7(4-6)18(16,17)14-5-8(15)9(11,12)13/h1-4,8,14-15H,5H2
InChIKeyPDUCPCXSADEEPB-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.03
Rot. Bonds4

About 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103834023) has the molecular formula C9H9F4NO3S and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103834023
Molecular FormulaC9H9F4NO3S
Molecular Weight287.23 g/mol
Exact Mass287.02
IUPAC Name3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C9H9F4NO3S/c10-6-2-1-3-7(4-6)18(16,17)14-5-8(15)9(11,12)13/h1-4,8,14-15H,5H2
InChIKeyPDUCPCXSADEEPB-UHFFFAOYSA-N
XLogP1.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
3-propanoyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833970
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
CID 104858703
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103834023) is 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCC(O)C(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is PDUCPCXSADEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO3S/c10-6-2-1-3-7(4-6)18(16,17)14-5-8(15)9(11,12)13/h1-4,8,14-15H,5H2.
What are the key properties of 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 287.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103834023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).