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

C10H9F6NO3S — CID 103833984

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F6NO3S/c11-9(12,13)6-2-1-3-7(4-6)21(19,20)17-5-8(18)10(14,15)16/h1-4,8,17-18H,5H2
InChIKeyOBPJZBGDAPZFEI-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.91
Rot. Bonds4

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

N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 103833984) has the molecular formula C10H9F6NO3S and a molecular weight of 337.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID103833984
Molecular FormulaC10H9F6NO3S
Molecular Weight337.24 g/mol
Exact Mass337.02
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F6NO3S/c11-9(12,13)6-2-1-3-7(4-6)21(19,20)17-5-8(18)10(14,15)16/h1-4,8,17-18H,5H2
InChIKeyOBPJZBGDAPZFEI-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
3-propanoyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833970
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43606280
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 103833984) is N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC(O)C(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OBPJZBGDAPZFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO3S/c11-9(12,13)6-2-1-3-7(4-6)21(19,20)17-5-8(18)10(14,15)16/h1-4,8,17-18H,5H2.
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 103833984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).