3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide

C8H6F5NO3S — CID 170998897

IUPAC3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(OC(F)(F)F)cc(C(F)F)c1
InChIInChI=1S/C8H6F5NO3S/c9-7(10)4-1-5(17-8(11,12)13)3-6(2-4)18(14,15)16/h1-3,7H,(H2,14,15,16)
InChIKeyYZGITEJXRGYQKF-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.17
Rot. Bonds3

About 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide

3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide (PubChem CID 170998897) has the molecular formula C8H6F5NO3S and a molecular weight of 291.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide
PubChem CID170998897
Molecular FormulaC8H6F5NO3S
Molecular Weight291.20 g/mol
Exact Mass291.00
IUPAC Name3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(OC(F)(F)F)cc(C(F)F)c1
InChIInChI=1S/C8H6F5NO3S/c9-7(10)4-1-5(17-8(11,12)13)3-6(2-4)18(14,15)16/h1-3,7H,(H2,14,15,16)
InChIKeyYZGITEJXRGYQKF-UHFFFAOYSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)benzene
CID 170998806
1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134622513
ethyl 2-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]acetate
CID 170998956
3-chloro-1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134626055
4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
CID 170999351
3-methoxy-5-(trifluoromethyl)benzenesulfonamide
CID 134627197
6-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide
CID 119013637
3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170999141
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-(difluoromethyl)-5-[3-(trifluoromethoxy)phenyl]aniline
CID 171394040
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide (CID 170998897) is 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(OC(F)(F)F)cc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YZGITEJXRGYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3S/c9-7(10)4-1-5(17-8(11,12)13)3-6(2-4)18(14,15)16/h1-3,7H,(H2,14,15,16).
What are the key properties of 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide?
3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 291.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 170998897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).