N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C15H10F7NO2S — CID 3781688

IUPACN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F7NO2S/c16-13-5-4-11(15(20,21)22)6-9(13)8-23-26(24,25)12-3-1-2-10(7-12)14(17,18)19/h1-7,23H,8H2
InChIKeyAUDFELPPWYOWNX-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.34
Rot. Bonds4

About N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3781688) has the molecular formula C15H10F7NO2S and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3781688
Molecular FormulaC15H10F7NO2S
Molecular Weight401.30 g/mol
Exact Mass401.03
IUPAC NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F7NO2S/c16-13-5-4-11(15(20,21)22)6-9(13)8-23-26(24,25)12-3-1-2-10(7-12)14(17,18)19/h1-7,23H,8H2
InChIKeyAUDFELPPWYOWNX-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3821577
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433892
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
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-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3543365
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 3781688) is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AUDFELPPWYOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F7NO2S/c16-13-5-4-11(15(20,21)22)6-9(13)8-23-26(24,25)12-3-1-2-10(7-12)14(17,18)19/h1-7,23H,8H2.
What are the key properties of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 401.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3781688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).